MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Kanzonol V

	Properties	Image
MNX_ID	MNXM127076
reference	chebi:175838
formula	C₂₄H₂₄O₄
global charge	0
mol weight	376.452
InChIKey	AKOSXIFOBUWPLU-UHFFFAOYSA-N
InChI	InChI=1S/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3
SMILES	CC(C)=CCC1=CC2=C(C=C1O)OC(C1=C3OC(C)(C)C=CC3=C(O)C=C1)=C2

MNX internals

InChI (mnx)	InChI=1/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3
SMILES (mnx)	[CH3:1][C:14]([CH3:2])=[CH:5][CH2:6][C:15]1=[CH:11][C:16]2=[C:21]([CH:13]=[C:20]1[OH:26])[O:27][C:22]([C:18]1=[C:23]3[C:17](=[C:19]([OH:25])[CH:8]=[CH:7]1)[CH:9]=[CH:10][C:24]([CH3:3])([CH3:4])[O:28]3)=[CH:12]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175838 chebi:175838 AKOSXIFOBUWPLU-UHFFFAOYSA-N	Kanzonol V 8-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzouran-2-yl]-2,2-dimethylchromen-5-ol
hmdb:HMDB0029788 AKOSXIFOBUWPLU-UHFFFAOYSA-N	Kanzonol V 5,4'-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':2',3']-2-arylbenzofuran 8-[6-hydroxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-2,2-dimethyl-2H-chromen-5-ol 8-[6-hydroxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-2,2-dimethylchromen-5-ol
hmdb:HMDB29788	secondary/obsolete/fantasy identifier