input word = C00020213

Metabolite InformationStructural formula
Name 6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-7,8,3',4'-tetrahydroxyflavan
Formula C30H28O12
Mw 580.15807636
CAS RN 109671-59-2
C_ID C00020213 ,
InChIKey RXLXTUBSDUJCAV-QBOUXOQFNA-N
InChICode InChI=1S/C30H28O12/c31-17-4-1-12(8-20(17)34)24(22(36)9-13-2-6-19(33)27(40)25(13)38)16-7-15-11-23(37)29(42-30(15)28(41)26(16)39)14-3-5-18(32)21(35)10-14/h1-8,10,22-24,29,31-41H,9,11H2/t22-,23+,24+,29-/m1/s1
SMILES c1(c(cc2c(c1O)O[C@@H]([C@H](C2)O)c1cc(c(cc1)O)O)[C@@H]([C@@H](Cc1ccc(c(c1O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeProsopis glandulosa Ref.
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