input word = C00024839

Metabolite InformationStructural formula
Name Barbaline
Formula C34H37NO11
Mw 635.23666103
CAS RN 177857-25-9
C_ID C00024839 ,
InChIKey KCCYFKIQPUNVNA-VSZICQSDNA-N
InChICode InChI=1S/C34H37NO11/c1-14-12-33-20-22(40)19(14)23(43-15(2)37)26(33)34-25(21(28(33)41)35(6)27(20)34)32(5,13-36)29(44-16(3)38)24(30(34)45-17(4)39)46-31(42)18-10-8-7-9-11-18/h7-11,13,19-21,23-30,41H,1,12H2,2-6H3/t19-,20+,21+,23-,24-,25+,26+,27+,28-,29+,30+,32-,33-,34+/m0/s1
SMILES [C@H]1([C@H]([C@]23[C@H]([C@@H]4[C@@H]([C@]56[C@H]2[C@H]([C@@H](C(=C)C6)C(=O)[C@@H]5[C@H]3N4C)OC(=O)C)O)[C@@](C)([C@@H]1OC(=O)C)C=O)OC(=O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium barbeyi Ref.
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OrganismDelphinium barbeyi
ReferenceManners,Phytochem.,42,(1996),875