(S)-isoandrocymbine
Chemical Formula:
C21H25NO5
Molecular Weight:
371.432 Daltons
Monoisotopic Mass:
371.1732729182 Daltons
SMILES:
CN1(CCC34(C=C(C(=O)C=C(C1CCC2(C=C(C(OC)=C(OC)C=23)O))4)OC))
InChI:
1S/C21H25NO5/c1-22-8-7-21-11-17(25-2)15(23)10-13(21)14(22)6-5-12-9-16(24)19(26-3)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9789
KEGG:
C16708
PubChem (CID):
46173814
ChEBI:
80673
MetaNetX:
MNXM91210