input word = C00031503

Metabolite InformationStructural formula
Name 14-O-Anisoylneoline
Formula C32H45NO8
Mw 571.31451742
CAS RN 640282-28-6
C_ID C00031503 ,
InChIKey PMCAUYATZKXGHU-UHFFFAOYNA-N
InChICode InChI=1S/C32H45NO8/c1-6-33-15-30(16-37-2)12-11-22(34)32-20-13-19-21(39-4)14-31(36,24(28(32)33)26(40-5)27(30)32)23(20)25(19)41-29(35)17-7-9-18(38-3)10-8-17/h7-10,19-28,34,36H,6,11-16H2,1-5H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28+,30-,31-,32-/m1/s1
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum carmichaeli Ref.
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OrganismAconitum carmichaeli
ReferenceShim,Chem.Pharm.Bull.,51,(2003),999