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colupulone

MNXM47540 is deprecated and here replaced by MNXM736841
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM736841

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₅H₃₅O₄

charge

-1

mass

399.25408

reference

InChIKey

UNCDMWKTFLUPHZ-UHFFFAOYSA-M

InChI

InChI=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

SMILES

CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134349 chebi:134349	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	colupulone
CHEBI:136851 chebi:136851	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