colupulone
Chemical Formula:
C25H35O4
Molecular Weight:
399.549 Daltons
Monoisotopic Mass:
400.261359644 Daltons
SMILES:
CC(=CCC1(C(=C(C(C(C=1O)(CC=C(C)C)CC=C(C)C)=O)C(C(C)C)=O)[O-]))C
InChI:
1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3/p-1
InChIKey:
Databases
MetaCyc:
CPD-7111
ChEBI:
134349
PubChem (CID):
25202889
Seed:
cpd24714
HMDB:
HMDB30065
MetaNetX:
MNXM47540