input word = C00009086

Metabolite InformationStructural formula
Name Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin
Formula C45H38O18
Mw 866.20581441
CAS RN 82801-35-2
C_ID C00009086 ,
InChIKey SXEONTJNLWOUBB-YRHGLQAANA-N
InChICode InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40-,41-,42-,43-,44-/m1/s1
SMILES c1(c(c(c2c(c1)O[C@@H]([C@@H]([C@@H]2c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O)[C@H]1[C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula spp. Ref.
PlantaeDioscoreaceaeDioscorea cirrhosa Ref.
PlantaeIlliciaceaeIllicium anisatum Ref.
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaePinus taeda Ref.
PlantaeRhizophoraceaeKandelia candel Ref.
PlantaeSalicaceaeSalix spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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