Flazin

PubChem CID: 5377686

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Compound Synonyms	Flazin, 100041-05-2, Flazine, 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-, CHEBI:69443, 1-(5-(Hydroxymethyl)furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5-(hydroxymethyl)-2-furanyl)-, CHEMBL1822160, SCHEMBL18939677, USBWYUYKHHILLZ-UHFFFAOYSA-, DTXSID20142890, USBWYUYKHHILLZ-UHFFFAOYSA-N, AEA04105, EX-A5451, AKOS040763155, DA-53219, HY-141508, CS-0173663, F92711, Q27137781, 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid #, 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI, InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	23.0
Description	Alkaloid from Japanese soy sauce and sake. Flazine is found in soy bean, herbs and spices, and beverages.
Isotope Atom Count	0.0
Molecular Complexity	460.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Prediction Hob	1.0
Class	Harmala alkaloids
Xlogp	2.1
Superclass	Alkaloids and derivatives
Molecular Formula	C17H12N2O4
Prediction Swissadme	0.0
Inchi Key	USBWYUYKHHILLZ-UHFFFAOYSA-N
Fcsp3	0.0588235294117647
Logs	-3.454
Rotatable Bond Count	3.0
State	Solid
Logd	1.668
Synonyms	1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI, Flazin, 1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9ci, 1-[5-(Hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate, Flazine
Substituent Name	Harman, Pyridoindole, Beta-carboline, Pyridine carboxylic acid or derivatives, Pyridine carboxylic acid, Indole or derivatives, Indole, Benzenoid, Pyridine, Heteroaromatic compound, Pyrrole, Furan, Oxacycle, Azacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Organonitrogen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound
Compound Name	Flazin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	308.08
Formal Charge	0.0
Monoisotopic Mass	308.08
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	308.29
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-3.4492470347826085
Inchi	InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
Smiles	C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Harmala alkaloids

1. Outgoing r'ship FOUND_IN to/from Achillea Nana (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Asplenium Yoshinagae (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Bischofia Javanica (Plant) Rel Props:Reference:
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21. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
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38. Outgoing r'ship FOUND_IN to/from Centrolobium Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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41. Outgoing r'ship FOUND_IN to/from Ceratophyllum Submersum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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43. Outgoing r'ship FOUND_IN to/from Chondrodendron Tomentosum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Cissus Javanica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Clerodendrum Tomentosum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Cnesmone Javanica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
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51. Outgoing r'ship FOUND_IN to/from Crotalaria Nana (Plant) Rel Props:Reference:
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53. Outgoing r'ship FOUND_IN to/from Debregeasia Edulis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
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56. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Dracocephalum Foetidum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Dracocephalum Heterophyllum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Dracocephalum Kotschyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
60. Outgoing r'ship FOUND_IN to/from Dracocephalum Modavicum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavicum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Dracocephalum Rupestre (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Dracocephalum Ruyschiana (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Dracocephalum Stamineum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Dracocephalum Stramonium (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Dracocephalum Tanguticum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Dryopteris Crenata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Emilia Javanica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Eugenia Edulis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Fagus Crenata (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Flemingia Nana (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
75. Outgoing r'ship FOUND_IN to/from Grindelia Nana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Hydrocotyle Javanica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ixora Javanica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Jackiella Javanica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Jatropha Nana (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Lippia Adoensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Lippia Brachypoda (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Lippia Carviodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
86. Outgoing r'ship FOUND_IN to/from Lippia Citriodora (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Lippia Dulcis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Lippia Javanica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Lippia Mexicana (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Lippia Nodiflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Lippia Sidoides (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Murdannia Edulis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Myrica Arborea (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Myrica Cerifera (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Myrica Esculenta (Plant) Rel Props:Reference:
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100. Outgoing r'ship FOUND_IN to/from Myrica Multiflora (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Myrica Nagi (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
103. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Nerium Tomentosum (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Oenanthe Javanica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Olax Nana (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Onopordum Alexandrinum (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Parkia Javanica (Plant) Rel Props:Reference:
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117. Outgoing r'ship FOUND_IN to/from Pinus Edulis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Pseudocedrela Kotschyi (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
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131. Outgoing r'ship FOUND_IN to/from Sesbania Javanica (Plant) Rel Props:Reference:
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140. Outgoing r'ship FOUND_IN to/from Sideritis Ferrensis (Plant) Rel Props:Reference:
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143. Outgoing r'ship FOUND_IN to/from Sideritis Hirsuta (Plant) Rel Props:Reference:
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145. Outgoing r'ship FOUND_IN to/from Sideritis Lotsyi (Plant) Rel Props:Reference:
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147. Outgoing r'ship FOUND_IN to/from Sideritis Perfoliata (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Sideritis Romana (Plant) Rel Props:Reference:
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150. Outgoing r'ship FOUND_IN to/from Sideritis Syriaca (Plant) Rel Props:Reference:
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154. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
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176. Outgoing r'ship FOUND_IN to/from Solanum Dubium (Plant) Rel Props:Reference:
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178. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Solanum Erianthum (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Solanum Euacanthum (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Solanum Forskalii (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Solanum Giganteum (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Solanum Incanum (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Solanum Jacquini (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Solanum Jamaicense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
188. Outgoing r'ship FOUND_IN to/from Solanum Jasminoides (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Solanum Khasianum (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Solanum Kurzii (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Solanum Laciniatum (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Solanum Lanceolatum (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Solanum Lasiocarpum (Plant) Rel Props:Reference:
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195. Outgoing r'ship FOUND_IN to/from Solanum Lycoicum (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Solanum Lycopersicum (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Solanum Mauritianum (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Solanum Myriacanthum (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Solanum Platanifolium (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Solanum Pseudocapsicum (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Solanum Sisymbrifolium (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Solanum Sodomaeum (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Solanum Virginiatum (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
238. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Trifolium Apertum (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Trifolium Diffusum (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Trifolium Fragiferum (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Trifolium Pretense (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Trifolium Subterraneum (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Wrightia Javanica (Plant) Rel Props:Reference:

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Associated Connections 255

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