input word = C00008840

Metabolite InformationStructural formula
Name Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside)
Formula C30H30O12
Mw 582.17372642
CAS RN 98752-09-1
C_ID C00008840 ,
InChIKey ORJHJEKVEWBZOB-YSDUSUPANA-N
InChICode InChI=1S/C30H30O12/c31-14-24-26(37)29(42-25(36)9-6-15-4-2-1-3-5-15)27(38)30(41-24)40-23-13-18-20(34)11-17(32)12-22(18)39-28(23)16-7-8-19(33)21(35)10-16/h1-12,23-24,26-35,37-38H,13-14H2/b9-6+/t23-,24-,26-,27-,28-,29+,30-/m1/s1
SMILES O=C(/C=C/c1ccccc1)OC1C(O)[C@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia divaricata Ref.
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OrganismDavallia divaricata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Murakami,Yakugaku Zasshi,105,(1985),649