input word = C00009035

Metabolite InformationStructural formula
Name Epimesquitol-(4alpha->O->4beta)-epimesquitol
Formula C30H26O13
Mw 594.13734092
CAS RN 125517-43-3
C_ID C00009035 ,
InChIKey KBCIHRRYAIBEDE-JDGJHXKHNA-N
InChICode InChI=1S/C30H26O13/c31-15-5-1-11(9-19(15)35)25-23(39)29(13-3-7-17(33)21(37)27(13)41-25)43-30-14-4-8-18(34)22(38)28(14)42-26(24(30)40)12-2-6-16(32)20(36)10-12/h1-10,23-26,29-40H/t23-,24-,25+,26+,29-,30+/m0/s1
SMILES Oc1ccc([C@H]2Oc3c(ccc(O)c3O)[C@@H](O[C@H]3c4ccc(O)c(O)c4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)[C@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia melanoxylon Ref.
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