input word = C00008912

Metabolite InformationStructural formula
Name Catechin-(6->6')-catechin
Formula C30H26O12
Mw 578.1424263
CAS RN 52891-12-0
C_ID C00008912 ,
InChIKey RIGUICSQBGRGSL-YTGJKGJYNA-N
InChICode InChI=1S/C30H26O12/c31-12-4-18(33)15-8-24(39)30(42-25(15)5-12)14-7-21(36)20(35)6-13(14)27-22(37)10-26-16(28(27)40)9-23(38)29(41-26)11-1-2-17(32)19(34)3-11/h1-7,10,23-24,29-40H,8-9H2/t23-,24-,29+,30+/m0/s1
SMILES c1(c(c(c2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)c1c(cc(c(c1)O)O)[C@H]1Oc2c(C[C@@H]1O)c(cc(c2)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePotentilla erecta Ref.
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