Alpha-Alectoronic Acid

PubChem CID: 15558610

Connections displayed (default: 10).

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Compound Synonyms	alpha-alectoronic acid, 3,9-dihydroxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid, 3,9-dihydroxy-6-oxo-1,7-bis(2-oxoheptyl)benzo(b)(1,4)benzodioxepine-2-carboxylic acid, CHEMBL426543, CHEBI:144109, 668-80-4
Topological Polar Surface Area	147.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	37.0
Isotope Atom Count	0.0
Molecular Complexity	811.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3,9-dihydroxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
Prediction Hob	0.0
Xlogp	5.4
Molecular Formula	C28H32O9
Prediction Swissadme	0.0
Inchi Key	ZDIOCINAHISORH-UHFFFAOYSA-N
Fcsp3	0.4285714285714285
Logs	-3.617
Rotatable Bond Count	13.0
Logd	2.929
Compound Name	Alpha-Alectoronic Acid
Prediction Hob Swissadme	0.0
Exact Mass	512.205
Formal Charge	0.0
Monoisotopic Mass	512.205
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	512.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-5.782941000000003
Inchi	InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34)
Smiles	CCCCCC(=O)CC1=C2C(=CC(=C1)O)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acacia Acuminata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acacia Adunca (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acacia Arabica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Acacia Armata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Acacia Aroma (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Acacia Aulacocarpa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Acacia Auriculaeformis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Acacia Auriculiformis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Acacia Caesia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Acacia Cambagei (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Acacia Catechu (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Acacia Caven (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Acacia Chundra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Acacia Concinna (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Acacia Confusa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Acacia Dealbata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Acacia Decurrens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Acacia Farnesiana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Acacia Ferruginea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Acacia Glaucescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Acacia Indica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Acacia Jacquemontii (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Acacia Kempeana (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Acacia Lasiopetala (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Acacia Lemmoni (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Acacia Lenticularis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Acacia Leucophloea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Acacia Linarioides (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Acacia Mearnsii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Acacia Melanoxylon (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Acacia Melonoxylon (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Acacia Modesta (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Acacia Mollissima (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Acacia Nilotica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Acacia Pachyphloia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Acacia Pennata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Acacia Planifrons (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Acacia Polyacantha (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Acacia Pruinosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Acacia Pulchella (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Acacia Pycnantha (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Acacia Salicina (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Acacia Saligna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
45. Outgoing r'ship FOUND_IN to/from Acacia Schweinfurthii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Acacia Senegal (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Acacia Seyal (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Acacia Simplicifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Acacia Sinuata (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Acacia Sparsiflora (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Acacia Spirorbis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Acacia Tomentosa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Acacia Torta (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Acacia Tortilis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Acacia Victoria (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Caryota Urens (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Dalea Purpurea (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Dioscorea Purpurea (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Eucalyptus Saligna (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Fritillaria Ebeiensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Galega Purpurea (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Garcinia Atroviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Garcinia Cambogia (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Garcinia Cantleyana (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Garcinia Celebica (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Garcinia Conrauana (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Garcinia Cowa (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Garcinia Echinocarpa (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Garcinia Esculenta (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Garcinia Gaudichaudii (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Garcinia Griffithii (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Garcinia Hanburyi (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Garcinia Hombroniana (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Garcinia Huillensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Garcinia Intermedia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Garcinia Kola (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Garcinia Kydia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Garcinia Lancaeafolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Garcinia Lancilimba (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Garcinia Lateriflora (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Garcinia Latissima (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Garcinia Linii (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Garcinia Lucida (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Garcinia Mangostana (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Garcinia Morella (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Garcinia Nervosa (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Garcinia Nigrolineata (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Garcinia Oblongifolia (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Garcinia Oligantha (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Garcinia Ovalifolia (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Garcinia Parvifolia (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Garcinia Paucinervis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Garcinia Pedunculata (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Garcinia Polyantha (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Garcinia Pseudoguttifera (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Garcinia Pyrifera (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Garcinia Quaesita (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Garcinia Scortechinii (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Garcinia Speciosa (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Garcinia Subelliptica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Garcinia Talbotii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Garcinia Tinctoria (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Garcinia Travancorica (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Garcinia Virgata (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Gentiana Algida (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Gentiana Aquatica (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Gentiana Argentea (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Gentiana Arisanensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Gentiana Bavarica (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Gentiana Bellidifolia (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Gentiana Brachyphylla (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Gentiana Campestris (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Gentiana Carinata (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Gentiana Chirayita (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Gentiana Chirayta (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Gentiana Coronata (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Gentiana Crassicaulis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Gentiana Dahurica (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Gentiana Depressa (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Gentiana Elwesii (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Gentiana Germanica (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Gentiana Humilis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Gentiana Kochiana (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Gentiana Kuroo (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Gentiana Kurroo (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Gentiana Lactea (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Gentiana Lutea (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Gentiana Makinoi (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Gentiana Manshurica (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Gentiana Nivalis (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Gentiana Nubigena (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Gentiana Olgae (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Gentiana Olivieri (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Gentiana Pedicellata (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Gentiana Prolata (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
154. Outgoing r'ship FOUND_IN to/from Gentiana Ramosa (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Gentiana Rigescens (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Gentiana Scabra (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Gentiana Sikkimensis (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Gentiana Siphonantha (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Gentiana Squarrosa (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Gentiana Stracheyi (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Gentiana Straminea (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Gentiana Strictiflora (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Gentiana Thunbergii (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Gentiana Tibetica (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Gentiana Triflora (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Gentiana Turkestanorum (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Gentiana Urnula (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Gentiana Veitchiorum (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Hakea Saligna (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Mucuna Urens (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Neonauclea Purpurea (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Rhamnus Purpurea (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Roscoea Purpurea (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Sarcococca Saligna (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Sarracenia Purpurea (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Sterculia Avillosa (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Sterculia Balanghas (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Sterculia Foetida (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Sterculia Guttata (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Sterculia Lychnophora (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Sterculia Parviflora (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Sterculia Rubiginosa (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Sterculia Urens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
189. Outgoing r'ship FOUND_IN to/from Sterculia Villosa (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Sterculia Vilosa (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Urtica Urens (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Wigandia Urens (Plant) Rel Props:Reference:

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Alpha-Alectoronic Acid

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Phytochemical Properties

Associated Connections 195

Plant Connections 195