input word = C00009117

Metabolite InformationStructural formula
Name Prodelphinidin B1
Epigallocatechin-(4beta->8)-gallocatechin
Formula C30H26O14
Mw 610.13225554
CAS RN 78362-04-6
C_ID C00009117 ,
InChIKey RTEDIEITOBJPNI-OUDMTLPKNA-N
InChICode InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,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)c3cc(c(c(c3)O)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.
PlantaeFabaceaeStryphnodendron adstringens Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
--Pithecolobium lobatum Ref.
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