input word = C00001618

Metabolite InformationStructural formula
Name Barbinine
Formula C37H48N2O10
Mw 680.33089577
CAS RN 123497-99-4
C_ID C00001618 ,
InChIKey BDTOTLZNFFPFFF-XASDQAQENA-N
InChICode InChI=1S/C37H48N2O10/c1-7-38-17-34(18-49-32(43)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)42)13-12-25(46-4)36-22-15-21-24(45-3)16-35(48-6,27(22)28(21)41)37(44,33(36)38)30(47-5)29(34)36/h8-11,19,21-22,24-25,27,29-30,33,44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,29+,30-,33-,34-,35+,36-,37+/m0/s1
SMILES [C@@]12([C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@@]([C@H]3OC)([C@H]4N(C2)CC)O)(C[C@@H]([C@H](C5=O)C1)OC)OC)COC(=O)c1c(cccc1)N1C(=O)C[C@@H](C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium barbeyi Ref.
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