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 Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus dentata Ref.
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