input word = C00046629

Metabolite InformationStructural formula
Name Bearline
Formula C37H48N2O11
Mw 696.32581039
CAS RN 253337-82-5
C_ID C00046629 ,
InChIKey FFEZGPKGGQWAER-RBZAGMOTNA-N
InChICode InChI=1S/C37H48N2O11/c1-6-38-16-34(17-49-32(44)20-9-7-8-10-23(20)39-26(41)13-18(2)31(39)43)12-11-25(47-4)36-22-14-21-24(50-19(3)40)15-35(45,27(22)28(21)42)37(46,33(36)38)30(48-5)29(34)36/h7-10,18,21-22,24-25,27-30,33,42,45-46H,6,11-17H2,1-5H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)C34C1[C@](O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC(C)=O)[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 nuttallianum Ref.
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