input word = C00009060

Metabolite InformationStructural formula
Name ent-Epiafzelechin-(4alpha->8)-epicatechin
Formula C30H26O11
Mw 562.14751167
CAS RN 130981-99-6
C_ID C00009060 ,
InChIKey KUODBSWFMJMVJV-OTPJXFODNA-N
InChICode InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m0/s1
SMILES Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
PlantaeFabaceaeCassia javanica Ref.
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