input word = C00009110

Metabolite InformationStructural formula
Name Gallocatechin-(4alpha->6)-catechin
Formula C30H26O13
Mw 594.13734092
CAS RN 110064-49-8
C_ID C00009110 ,
InChIKey SNJZSALXDDQVRR-AKJKQIJRNA-N
InChICode InChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(11-4-18(36)27(40)19(37)5-11)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)10-1-2-14(32)15(33)3-10/h1-7,9,20,25,28-41H,8H2/t20-,25+,28-,29+,30+/m0/s1
SMILES c1c(ccc(c1O)O)[C@H]1Oc2c(C[C@@H]1O)c(c(c(c2)O)[C@@H]1[C@@H]([C@H](Oc2c1c(cc(c2)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus dentata Ref.
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