input word = C00024840

Metabolite InformationStructural formula
Name Barbisine
Formula C32H35NO9
Mw 577.23118172
CAS RN 128332-16-1
C_ID C00024840 ,
InChIKey REQUJTKBFQSUNF-ULZSNMOJNA-N
InChICode InChI=1S/C32H35NO9/c1-14-11-31-20-22(37)19(14)23(38)25(31)32-24(21(33(5)26(20)32)28(31)41-16(3)36)30(4,13-34)12-18(27(32)40-15(2)35)42-29(39)17-9-7-6-8-10-17/h6-10,13,18-21,23-28,38H,1,11-12H2,2-5H3/t18-,19-,20+,21+,23+,24+,25+,26+,27+,28+,30-,31-,32+/m0/s1
SMILES C=C1CC23[C@@H]4C(=O)[C@H]1[C@H](O)[C@H]2[C@@]12C4N(C)[C@@H]([C@H]3OC(C)=O)[C@@H]1[C@](C)(C=O)C[C@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium barbeyi Ref.
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