input word = C00009113

Metabolite InformationStructural formula
Name Epigallocatechin-(4beta->8)-catechin
Formula C30H26O13
Mw 594.13734092
CAS RN 77983-30-3
C_ID C00009113 ,
InChIKey ZYDDITZPGFXQSD-RYJJVPIENA-N
InChICode InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28-,29-/m1/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1cc(c(c(c1)O)O)O)O)c1c3c(C[C@H]([C@H](O3)c3ccc(c(c3)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus incanus Ref.
PlantaeFabaceaeAcacia suma Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaePoaceaeHordeum vulgare Ref.
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OrganismAcacia suma
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Gupta,J.Chem.Soc.Perkin Trans.,1,(1981),1148

Delcour,J.Inst.Brew.,90,(1984),153