input word = C00001630

Metabolite InformationStructural formula
Name Delavaine A
Formula C38H54N2O11
Mw 714.37276058
CAS RN 109291-57-8
C_ID C00001630 ,
InChIKey JCUPDVBWNHFOAD-TVRLZXGINA-N
InChICode InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-32(42)20(2)15-27(41)48-5)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)49-6)38(45,34(37)40)31(50-7)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,42)/t20-,22-,23-,25+,26+,28-,29+,30-,31+,34+,35+,36-,37+,38-/m1/s1
SMILES c1(ccccc1C(=O)OC[C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@]([C@H]3OC)(O)[C@H]4N(C2)CC)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)NC(=O)[C@@H](CC(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium delavayi var. pogonanthum Ref.
PlantaeRanunculaceaeDelphinium dissectum Ref.
PlantaeRanunculaceaeDelphinium fangshanense W.T. Ref.
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