humulone
Chemical Formula:
C21H29O5
Molecular Weight:
361.457 Daltons
Monoisotopic Mass:
362.2093240735 Daltons
SMILES:
CC(=CCC1(C(=C(C(C(C=1[O-])(O)CC=C(C)C)=O)C(CC(C)C)=O)O))C
InChI:
1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/p-1/t21-/m1/s1
InChIKey:
Synonyms
- (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo
Databases
MetaCyc:
CPD-7106
MetaboLights:
MTBLC5769
ChEBI:
5769
PubChem (CID):
25203320
KEGG:
C10695
Seed:
cpd07581
MetaNetX:
MNXM18572