input word = C00055737

Metabolite InformationStructural formula
Name bis-6,8'-catechinylmethane
Formula C31H28O12
Mw 592.15807636
CAS RN 863309-03-9
C_ID C00055737
InChIKey BUYBPTPRYDEIRB-SRPPIYJJSA-N
InChICode InChI=1S/C31H28O12/c32-18-3-1-12(5-23(18)37)29-26(40)9-17-27(42-29)11-22(36)14(28(17)41)7-15-20(34)10-21(35)16-8-25(39)30(43-31(15)16)13-2-4-19(33)24(38)6-13/h1-6,10-11,25-26,29-30,32-41H,7-9H2/t25-,26-,29+,30+/m0/s1
SMILES Oc1ccc([C@H]2Oc3cc(O)c(Cc4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)c(O)c3C[C@@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.