input word = C00055987

Metabolite InformationStructural formula
Name Montahomobisflavan B
Formula C33H32O14
Mw 652.17920573
CAS RN 831169-84-7
C_ID C00055987
InChIKey TYJPPVWEHLOVDX-SRPPIYJJSA-N
InChICode InChI=1S/C33H32O14/c1-44-32-21(37)3-12(4-22(32)38)29-26(42)9-17-27(46-29)11-20(36)14(28(17)43)7-15-18(34)10-19(35)16-8-25(41)30(47-31(15)16)13-5-23(39)33(45-2)24(40)6-13/h3-6,10-11,25-26,29-30,34-43H,7-9H2,1-2H3/t25-,26-,29+,30+/m0/s1
SMILES COc1c(O)cc([C@H]2Oc3cc(O)c(Cc4c(O)cc(O)c5c4O[C@H](c4cc(O)c(OC)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.