input word = C00031692

Metabolite InformationStructural formula
Name Crassicauline A
Formula C35H49NO10
Mw 643.33564679
CAS RN 79592-91-9
C_ID C00031692 ,
InChIKey GAZDXIGXYWVWQX-UHFFFAOYNA-N
InChICode InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27-,28+,29+,30+,32-,33+,34-,35-/m1/s1
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum carmichaeli Ref.
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