input word = C00032411

Metabolite InformationStructural formula
Name Trifoliolasine B
(+)-Trifoliolasine B
Formula C36H51N3O10
Mw 685.35744487
CAS RN 740815-34-3
C_ID C00032411 ,
InChIKey XRSXVXWWMSONJI-QZONZPBGNA-N
InChICode InChI=1S/C36H51N3O10/c1-6-39-16-33(17-49-31(43)19-9-7-8-10-22(19)38-25(40)13-18(2)30(37)42)12-11-24(47-4)35-21-14-20-23(46-3)15-34(44,26(21)27(20)41)36(45,32(35)39)29(48-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,41,44-45H,6,11-17H2,1-5H3,(H2,37,42)(H,38,40)/t18-,20-,21-,23+,24+,26-,27+,28-,29+,32-,33?,34-,35-,36+/m1/s1
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C[C@@H](C)C(N)=O)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium trifoliatum Ref.
PlantaeRanunculaceaeDelphinium trifoliolatum FINET et GAGNEP Ref.
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OrganismDelphinium trifoliatum
ReferenceZHOU, et al., Chem Pharm Bull, 52, (2004), 381