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

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Cerasinone

	Properties	Image
MNX_ID	MNXM46131
reference	chebi:175210
formula	C₁₈H₁₈O₆
global charge	0
mol weight	330.336
InChIKey	JVUGHKAZGNYYCA-UHFFFAOYSA-N
InChI	InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3
SMILES	COC1=CC(OC)=C(C2CC(=O)C3=C(C=C(O)C=C3OC)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3/t15?
SMILES (mnx)	[CH3:1][O:21][C:11]1=[CH:8][C:14]([O:22][CH3:2])=[C:12]([CH:15]2[CH2:9][C:13](=[O:20])[C:18]3=[C:16]([O:23][CH3:3])[CH:6]=[C:10]([OH:19])[CH:7]=[C:17]3[O:24]2)[CH:5]=[CH:4]1

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:175210 chebi:175210 JVUGHKAZGNYYCA-UHFFFAOYSA-N	Cerasinone 2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
lipidmaps:LMPK12140530 lipidmapsM:LMPK12140530 JVUGHKAZGNYYCA-UHFFFAOYSA-N	Cerasinone
hmdb:HMDB0037315 JVUGHKAZGNYYCA-UHFFFAOYSA-N	Cerasinone 2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 7-Hydroxy-2',4',5-trimethoxyflavanone cerasinone
hmdb:HMDB37315	secondary/obsolete/fantasy identifier