Ethyl Vanillin

PubChem CID: 8467

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Compound Synonyms	3-Ethoxy-4-hydroxybenzaldehyde, ETHYL VANILLIN, Ethylvanillin, 121-32-4, Ethylprotal, Bourbonal, Vanillal, Ethavan, Ethovan, Vanirom, Vanilal, Benzaldehyde, 3-ethoxy-4-hydroxy-, 4-Hydroxy-3-ethoxybenzaldehyde, Quantrovanil, Ethyl protal, Rhodiarome, Vanirome, Protocatechuic aldehyde ethyl ether, Vanillin, ethyl-, 2-Ethoxy-4-formylphenol, 3-Ethoxyprotocatechualdehyde, FEMA No. 2464, Arovanillon, Ethylprotocatechuic aldehyde, Vanbeenol, Ethyl vanillin (NF), Ethyl vanillin [NF], MFCD00006944, CCRIS 1346, HSDB 945, ethyl-vanillin, Ethylprotocatechualdehyde-3-ethyl ether, Vanillin,ethyl, 3-ETHOXY-4-HYDROXY-BENZALDEHYDE, UNII-YC9ST449YJ, NSC 1803, NSC-1803, EINECS 204-464-7, Ethyl protocatechuic aldehyde, YC9ST449YJ, NSC-67240, BRN 1073761, 3-ethoxy-4-hydroxy benzaldehyde, DTXSID5021968, CHEBI:48408, AI3-00786, Protocatechuic aldehyde 3-ethyl ether, J2.006K, ETHYL VANILLIN [II], ETHYL VANILLIN [MI], ETHYL VANILLIN [FCC], ETHYL VANILLIN [FHFI], ETHYL VANILLIN [HSDB], VANILLIN,ETHYL [VANDF], DTXCID901968, ETHYL VANILLIN [MART.], ETHYL VANILLIN [USP-RS], ETHYL VANILLIN [WHO-DD], EC 204-464-7, NCGC00091583-02, WLN: VHR DQ CO2, ETHYL VANILLIN (II), ETHYL VANILLIN (MART.), ETHYL VANILLIN (USP-RS), Quantrovanil, Vanillal, CAS-121-32-4, Aethylvanillin, Vanillin, ethyl, 2Ethoxy4formylphenol, BOUBONAL, Bourbonal ethyl protal, Ethyl vanillin, USAN?, FEMA Number 2464, Ethylvanillin (Standard), Ethyl protocatechualdehyde, 3Ethoxyprotocatechualdehyde, 3Ethoxy4hydroxybenzaldehyde, 4Hydroxy3ethoxybenzaldehyde, SCHEMBL30247, 3ethoxy-4-hydroxybenzaldehyde, Benzaldehyde, 3ethoxy4hydroxy, MLS002454403, BIDD:ER0329, ETHYL VANILLIN [INCI], 3-ethoxyl-4-hydroxybenzaldhyde, 5-ethoxy-4-hydroxybenzaldehyde, CHEMBL508676, Ethyl vanillin (Rhodiarome(R)), FEMA 2464, HY-B0940R, MSK3355, NSC1803, GLXC-10438, HMS2267D23, Ethyl vanillin, analytical standard, HY-B0940, NSC67240, Ethylprotocatechualdehyde3ethyl ether, Tox21_113535, Tox21_202125, Tox21_302903, 3-Ethoxy-4-Hydroxybenzaldehyde,(S), BBL023011, s4568, STK353630, 3-(Ethoxy-d5)-4-hydroxybenzaldehyde, Ethyl vanillin, >=98%, FCC, FG, AKOS000119395, 1ST3355, CCG-213720, CS-4409, FE34406, PS-4030, NCGC00091583-01, NCGC00091583-03, NCGC00091583-04, NCGC00256500-01, NCGC00259674-01, AC-10881, Ethyl proto-catechualdehyde-3-ethyl ether, NCI60_001511, SMR001252229, SY011364, DB-061895, E0050, NS00008588, EN300-18278, D01086, D70878, AB00949623_05, Q416958, SR-01000865052, SR-01000865052-2, 3-Ethoxy-4-hydroxybenzaldehyde, ReagentPlus(R), 99%, BRD-K82104468-001-05-0, Z57772443, F2190-0622, 3-Ethoxy-4-hydroxybenzaldehyde, Vetec(TM) reagent grade, 99%, Ethyl vanillin, United States Pharmacopeia (USP) Reference Standard, Ethyl vanillin, Pharmaceutical Secondary Standard, Certified Reference Material
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Cinnamic acids and derivatives, Simple phenolic acids
Deep Smiles	CCOcccC=O))ccc6O
Heavy Atom Count	12.0
Classyfire Class	Organooxygen compounds
Description	Flavouring agent with flavouring power 2-4 times greater than vanillin. It is used especies in cocoa products.
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Carbonyl compounds
Isotope Atom Count	0.0
Molecular Complexity	147.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P00352, P19793, Q03181, Q16236, n.a., P0DTD1, P10275
Iupac Name	3-ethoxy-4-hydroxybenzaldehyde
Prediction Hob	1.0
Class	Benzene and substituted derivatives
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Target Id	NPT94
Xlogp	1.6
Superclass	Benzenoids
Subclass	Benzaldehydes
Gsk 4 400 Rule	True
Molecular Formula	C9H10O3
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	0.0
Inchi Key	CBOQJANXLMLOSS-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.2222222222222222
Logs	-1.936
Rotatable Bond Count	3.0
State	Solid
Logd	1.502
Synonyms	2-Ethoxy-4-formylphenol, 3-ETHOXY-4-HYDROXY-BENZALDEHYDE, 3-Ethoxy-4-hydroxybenzaldehyde, 3-Ethoxyprotocatechualdehyde, 4-Hydroxy-3-ethoxybenzaldehyde, Aethylvanillin, Benzaldehyde, 3-ethoxy-4-hydroxy-, Bourbonal, Ethavan, Ethovan, Ethyl protal, Ethyl proto-catechualdehyde-3-ethyl ether, Ethyl protocatechualdehyde, Ethyl vanillin, Ethyl vanillin (NF), Ethyl vanillin, USAN?, Ethyl-vanillin, Ethylprotal, Ethylprotocatechualdehyde-3-ethyl ether, Ethylprotocatechuic aldehyde, Ethylvanillin, FEMA 2464, Protocatechuic aldehyde 3-ethyl ether, Protocatechuic aldehyde ethyl ether, Quantrovanil, Quantrovanil, vanillal, Rhodiarome, Vanbeenol, Vanilal, Vanillal, Vanillin, ethyl-, Vanirom, Vanirome, 3-ETHOXY-4-hydroxy-benzaldehyde, Ethyl vanillin, usan?, ethyl vanillin, ethylvanillin
Substituent Name	Hydroxybenzaldehyde, Phenol ether, Benzoyl, Aryl-aldehyde, Phenol, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aldehyde, Aromatic homomonocyclic compound
Esol Class	Soluble
Functional Groups	cC=O, cO, cOC
Compound Name	Ethyl Vanillin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	166.063
Formal Charge	0.0
Monoisotopic Mass	166.063
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	166.17
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic homomonocyclic compounds
Lipinski Rule Of 5	True
Esol	-2.0376912000000003
Inchi	InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
Smiles	CCOC1=C(C=CC(=C1)C=O)O
Nring	1.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Hydroxybenzaldehydes
Np Classifier Superclass	Phenolic acids (C6-C1), Phenylpropanoids (C6-C3)

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177. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Michelia Alba (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Microtropis Fokienensis (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
188. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
195. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Neoalsomitra Integrifolia (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Neopringlea Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
204. Outgoing r'ship FOUND_IN to/from Notonia Grandiflora (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Nymphaea Alba (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Oreocnide Integrifolia (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Osbeckia Aspera (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Petunia Integrifolia (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Phebalium Ambiens (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Phebalium Bilobum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
215. Outgoing r'ship FOUND_IN to/from Phebalium Dentatum (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Phebalium Gracile (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Phebalium Ozothamnoides (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Phebalium Whitei (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Pinus Rigida (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Piptostigma Fugax (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Plumeria Alba (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Populus Alba (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Portulaca Grandiflora (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Potentilla Alba (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Primula Grandiflora (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Primula Integrifolia (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Raphanus Caudatus (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Raphanus Raphanistrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
236. Outgoing r'ship FOUND_IN to/from Raphanus Sativus (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Rhamnus Davurica (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Rhizophora Apiculata (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Rhizophora Mangle (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
241. Outgoing r'ship FOUND_IN to/from Rhizophora Mucronata (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Rhizophora Stylosa (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Rhizophora Tagal (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Rosa Davurica (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Salix Acomphylla (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
251. Outgoing r'ship FOUND_IN to/from Salix Babylonica (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Salix Caprea (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Salix Daphnoides (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Salix Fragilis (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Salix Lindleyana (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Salix Matsudana (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Salix Petiolaris (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Salix Pycnostachya (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Salix Rosmarinifolia (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Salix Sieboldiana (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Salix Tetrasperma (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Salix Viminalis (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Schisandra Arisanensis (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Schisandra Glaucescens (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Schisandra Grandiflora (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Schisandra Henryi (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Schisandra Lancifolia (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Schisandra Micrantha (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Schisandra Neglecta (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Schisandra Propinqua (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Schisandra Rubriflora (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Schisandra Sphaerandra (Plant) Rel Props:Source_db:npass_chem_all
278. Outgoing r'ship FOUND_IN to/from Schisandra Sphenanthera (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Sesbania Bispinosa (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Sesbania Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
282. Outgoing r'ship FOUND_IN to/from Sesbania Javanica (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Sesbania Pudosa (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Sesbania Punicea (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Sesbania Sesban (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Sesbania Speciosa (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Sida Alba (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Sinapis Alba (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Smilax Aspera (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Sonneratia Alba (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
294. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Stemona Kerrii (Plant) Rel Props:Reference:
298. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
299. Outgoing r'ship FOUND_IN to/from Sterblus Aspera (Plant) Rel Props:Reference:
300. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
301. Outgoing r'ship FOUND_IN to/from Tacca Integrifolia (Plant) Rel Props:Reference:
302. Outgoing r'ship FOUND_IN to/from Tecoma Grandiflora (Plant) Rel Props:Reference:
303. Outgoing r'ship FOUND_IN to/from Tephroseris Integrifolia (Plant) Rel Props:Reference:
304. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
305. Outgoing r'ship FOUND_IN to/from Thunbergia Grandiflora (Plant) Rel Props:Reference:
306. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
307. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
308. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
309. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
310. Outgoing r'ship FOUND_IN to/from Trophis Aspera (Plant) Rel Props:Reference:
311. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
312. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:
313. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 313

Plant Connections 313