input word = C00040936

Metabolite InformationStructural formula
Name Delphicrispuline
Formula C30H42N2O6
Mw 526.30428709
CAS RN 114244-02-9
C_ID C00040936 ,
InChIKey VNBIFAPROMMMBX-DZPZOBOQNA-N
InChICode InChI=1S/C30H42N2O6/c1-5-32-15-28(38-27(33)16-8-6-7-9-20(16)31)11-10-23(36-3)30-18-12-17-21(35-2)14-29(34,24(18)25(17)37-4)19(26(30)32)13-22(28)30/h6-9,17-19,21-26,34H,5,10-15,31H2,1-4H3/t17-,18-,19-,21+,22-,23+,24-,25+,26+,28?,29+,30+/m1/s1
SMILES [C@H]12[C@@H]3N(C[C@]4([C@H]([C@@]3([C@@H]3C[C@@H]5[C@H](C[C@]2([C@H]3[C@H]5OC)O)OC)[C@H](CC4)OC)C1)OC(=O)c1c(cccc1)N)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium crispulum Ref.
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