demecolcine
Chemical Formula:
C21H26NO5
Molecular Weight:
372.44 Daltons
Monoisotopic Mass:
372.1810979503 Daltons
SMILES:
C[N+]C2(CCC3(C=C(C(=C(OC)C(C1(C(=CC(=O)C(=CC=1)OC)2))=3)OC)OC))
InChI:
1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/p+1/t15-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9787
PubChem (CID):
7059503
MetaboLights:
MTBLC4393
ChEBI:
4393
KEGG:
C11250
Seed:
cpd08113
MetaNetX:
MNXM30282