adhumulone
Chemical Formula:
C21H29O5
Molecular Weight:
361.457 Daltons
Monoisotopic Mass:
362.2093240735 Daltons
SMILES:
CCC(C(C1(=C(C(=C(C(C1=O)(O)CC=C(C)C)[O-])CC=C(C)C)O))=O)C
InChI:
1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3/p-1/t14?,21-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19791
PubChem (CID):
126961100
ChemSpider:
168080