input word = C00038781

Metabolite InformationStructural formula
Name Circinasine C
Formula C31H43NO9
Mw 573.29378198
CAS RN 939972-77-7
C_ID C00038781 ,
InChIKey KRMUYGOMMRXYIO-UHFFFAOYNA-N
InChICode InChI=1S/C31H43NO9/c1-5-32-15-27(16-38-2)11-10-21(40-4)31-19-12-29(36)22(41-26(34)17-6-8-18(39-3)9-7-17)14-28(35,23(19)25(29)33)20(24(31)32)13-30(27,31)37/h6-9,19-25,33,35-37H,5,10-16H2,1-4H3/t19-,20-,21-,22-,23-,24+,25+,27-,28+,29+,30-,31+/m1/s1
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC(=O)c7ccc(OC)cc7)CC(O)(C(CC23O)C14)C5C6O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.circinatum Ref.
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OrganismAconitum hemsleyanum var.circinatum
ReferenceGao,J.Nat.Prod.,70,(2007),876