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lupulone

MNXM60510 is deprecated and here replaced by MNXM738761
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738761 Image of MNXM738761
referencechebi:134343
formulaC26H37O4
global charge-1
mol weight413.578
InChIKeyLSDULPZJLTZEFD-UHFFFAOYSA-M
InChIInChI=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
SMILESCC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM738761
SMILES (mnx)[CH3:1][C:16]([CH3:2])=[CH:9][CH2:10][C:20]1=[C:24]([OH:29])[C:26]([CH2:13][CH:11]=[C:17]([CH3:3])[CH3:4])([CH2:14][CH:12]=[C:18]([CH3:5])[CH3:6])[C:25](=[O:30])[C:22]([C:21]([CH2:15][CH:19]([CH3:7])[CH3:8])=[O:27])=[C:23]1[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134343
chebi:134343
LSDULPZJLTZEFD-UHFFFAOYSA-M 		lupulone
5-hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-en-1-yl)-3-oxocyclohexa-1,5-dien-1-olate
lupulone(1-)

seed.compound:cpd07592
seedM:cpd07592
LSDULPZJLTZEFD-UHFFFAOYSA-M 		Lupulone
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-
lupulone

CHEBI:6574
chebi:6574
LSDULPZJLTZEFD-UHFFFAOYSA-N 		lupulone
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
Lupulon
beta-Lupulic acid
hop beta-acid

metacyc.compound:CPD-7110
metacycM:CPD-7110
LSDULPZJLTZEFD-UHFFFAOYSA-M 		lupulone
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-

seedM:M_cpd07592 		secondary/obsolete/fantasy identifier