input word = C00036803

Metabolite InformationStructural formula
Name bis-8,8'-Catechinylmethane
Formula C31H28O12
Mw 592.15807636
CAS RN 81555-08-0
C_ID C00036803 ,
InChIKey KATSZCAOGZFWJD-FYUJBATPNA-N
InChICode InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28-,29+/m1/s1
SMILES c12c(C[C@H]([C@H](O1)c1ccc(c(c1)O)O)O)c(cc(c2Cc1c(cc(c2c1O[C@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeMalvaceaeTheobroma cacao L. Ref.
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