adlupulone
Chemical Formula:
C26H37O4
Molecular Weight:
413.576 Daltons
Monoisotopic Mass:
414.2770097082 Daltons
SMILES:
CCC(C(C1(=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-]))=O)C
InChI:
1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3/p-1
InChIKey:
Databases
MetaCyc:
CPD-19790
ChEBI:
134352
PubChem (CID):
124079400
ChemSpider:
35013143