lupulone
Chemical Formula:
C26H37O4
Molecular Weight:
413.576 Daltons
Monoisotopic Mass:
414.2770097082 Daltons
SMILES:
CC(=CCC1(C(=C(C(C(C=1O)(CC=C(C)C)CC=C(C)C)=O)C(CC(C)C)=O)[O-]))C
InChI:
1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3/p-1
InChIKey:
Synonyms
- 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-
Databases
MetaCyc:
CPD-7110
RefMet:
Lupulone
ChEBI:
134343
Seed:
cpd07592
HMDB:
HMDB30041
MetaNetX:
MNXM60510
KEGG:
C10706