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colupulone

MNXM47540 is deprecated and here replaced by MNXM736841
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736841 Image of MNXM736841
referencechebi:134349
formulaC25H35O4
global charge-1
mol weight399.551
InChIKeyUNCDMWKTFLUPHZ-UHFFFAOYSA-M
InChIInChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3/p-1
SMILESCC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1[O-]
MNX internals
InChI (mnx)InChI=1/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3 Image of MNXM736841
SMILES (mnx)[CH3:1][C:15]([CH3:2])=[CH:9][CH2:10][C:19]1=[C:23]([OH:28])[C:25]([CH2:13][CH:11]=[C:16]([CH3:3])[CH3:4])([CH2:14][CH:12]=[C:17]([CH3:5])[CH3:6])[C:24](=[O:29])[C:20]([C:21]([CH:18]([CH3:7])[CH3:8])=[O:26])=[C:22]1[OH:27]
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:134349
chebi:134349
UNCDMWKTFLUPHZ-UHFFFAOYSA-M 		colupulone
5-hydroxy-4,4,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)-3-oxocyclohexa-1,5-dien-1-olate
colupulone(1-)

metacyc.compound:CPD-7111
metacycM:CPD-7111
seed.compound:cpd24714
seedM:cpd24714
UNCDMWKTFLUPHZ-UHFFFAOYSA-M 		colupulone

CHEBI:136851
chebi:136851
UNCDMWKTFLUPHZ-UHFFFAOYSA-N 		colupulone
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

seedM:M_cpd24714 		secondary/obsolete/fantasy identifier