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lupulone

MNXM60510 is deprecated and here replaced by MNXM738761
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738761

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

formula

C₂₆H₃₇O₄

charge

-1

mass

413.26973

reference

InChIKey

LSDULPZJLTZEFD-UHFFFAOYSA-M

InChI

InChI=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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134343 chebi:134343	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	Lupulone 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa- lupulone
CHEBI:6574 chebi:6574	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	lupulone 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-
seedM:M_cpd07592	secondary/obsolete/fantasy identifier