Search MNXref
 Feedback

deoxycohumulone

PropertiesImage
MNX_IDMNXM8552 Image of MNXM8552
referencechebi:134353
formulaC20H28O4
global charge0
mol weight332.44
InChIKeyKKFIZYKKQLWBKH-UHFFFAOYSA-N
InChIInChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
SMILESCC(C)=CCC1=C(O)C(CC=C(C)C)=C(O)C(C(=O)C(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3 Image of MNXM8552
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:7][CH2:9][C:14]1=[C:18]([OH:22])[C:15]([CH2:10][CH:8]=[C:12]([CH3:3])[CH3:4])=[C:20]([OH:24])[C:16]([C:17]([CH:13]([CH3:5])[CH3:6])=[O:21])=[C:19]1[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134353
chebi:134353
KKFIZYKKQLWBKH-UHFFFAOYSA-N 		deoxycohumulone
2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one
3,5-Bis(3-methyl-2-butenyl)phlorisobutyrophenone
3,5-diprenylphlorisobutyrophenone
diprenylphlorisobutyrophenone
hmdb:HMDB0036623
KKFIZYKKQLWBKH-UHFFFAOYSA-N 		4-Deoxycohumulone
2',4',6'-Trihydroxy-2-methyl-3',5'-bis(3-methyl-2-butenyl)propiophenone, 8ci
2,4-Bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-1,3,5-cyclohexanetrione, 9ci
2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one
3,5-Bis(3-methyl-2-butenyl)phlorisobutyrophenone
3,5-Diprenylphlorisobutyrophenone
Deoxycohumulone
Diprenylphlorisobutyrophenone

metacyc.compound:CPD-7107
metacycM:CPD-7107
seed.compound:cpd24711
seedM:cpd24711
KKFIZYKKQLWBKH-UHFFFAOYSA-M
KKFIZYKKQLWBKH-UHFFFAOYSA-N 		deoxycohumulone
diprenylphlorisobutyrophenone

hmdb:HMDB36623
seedM:M_cpd24711 		secondary/obsolete/fantasy identifier