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 Oc1ccc([C@H]2Oc3c(Cc4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)c(O)cc(O)c3C[C@@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeMalvaceaeTheobroma cacao L. Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.