input word = C00029966

Metabolite InformationStructural formula
Name Circinadine A
Formula C32H45NO9
Mw 587.30943204
CAS RN 886432-47-7
C_ID C00029966 ,
InChIKey ASRBVBIKKAZQBW-UHFFFAOYNA-N
InChICode InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)21-11-19-26(33)32(21,23(40-4)12-22(29)34)20-13-31(37)24(41-5)14-30(19,36)25(20)27(31)42-28(35)17-7-9-18(39-3)10-8-17/h7-10,19-27,34,36-37H,6,11-16H2,1-5H3/t19-,20-,21+,22-,23-,24+,25-,26+,27+,29+,30+,31+,32+/m1/s1
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(O)(C(CC23)C14)C5C6OC(=O)c1ccc(OC)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var. circinacum Ref.
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OrganismAconitum hemsleyanum var. circinacum
ReferenceGao,Chem.Pharm.Bull.,54,(2006),117