input word = C00001624

Metabolite InformationStructural formula
Name Cashmiradelphine
Formula C37H52N2O11
Mw 700.35711052
CAS RN 69787-05-9
C_ID C00001624 ,
InChIKey SVMCGAKQNRLCHV-JOKCLUAFNA-N
InChICode InChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25+,28-,29+,30-,31+,33+,34+,35-,36+,37-/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)CCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum septentrionale Ref.
PlantaeRanunculaceaeDelphinium cashmirianum Ref.
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