input word = C00009250

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-dryopteric acid
Formula C32H28O14
Mw 636.14790561
CAS RN 126722-61-0
C_ID C00009250 ,
InChIKey RBVLBYIPNGIHGU-SOERATPVNA-N
InChICode InChI=1S/C32H28O14/c33-13-7-19(38)25-22(8-13)45-31(12-2-4-16(35)18(37)6-12)29(44)27(25)26-21(40)10-20(39)24-14(9-23(41)42)28(43)30(46-32(24)26)11-1-3-15(34)17(36)5-11/h1-8,10,14,27-31,33-40,43-44H,9H2,(H,41,42)/t14-,27+,28+,29+,30+,31+/m0/s1
SMILES O=C(O)C[C@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia divaricata Ref.
PlantaeDavalliaceaeDavallia griffithiana Ref.
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