input word = C00015740

Metabolite InformationStructural formula
Name Ampelopsin E
Formula C42H32O9
Mw 680.20463262
CAS RN 149496-36-6
C_ID C00015740 ,
InChIKey PHIHHTIYURVLDB-CTXDPDQKNA-N
InChICode InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41-,42+/m1/s1
SMILES Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea gibbosa Ref.
PlantaeVitaceaeAmpelopsis brevipedunculata var hancei Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis thunbergii Ref.
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OrganismVitis amurensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.