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

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gliricidin

	Properties	Image
MNX_ID	MNXM55078
reference	chebi:230756
formula	C₁₆H₁₂O₆
global charge	0
mol weight	300.266
InChIKey	YPSHOHKAIYYZFR-UHFFFAOYSA-N
InChI	InChI=1S/C16H12O6/c1-21-16-12(18)4-8(5-13(16)19)11-7-22-14-6-9(17)2-3-10(14)15(11)20/h2-7,17-19H,1H3
SMILES	COC1=C(O)C=C(C2=COC3=C(C=CC(O)=C3)C2=O)C=C1O

MNX internals

InChI (mnx)	InChI=1/C16H12O6/c1-21-16-12(18)4-8(5-13(16)19)11-7-22-14-6-9(17)2-3-10(14)15(11)20/h2-7,17-19H,1H3
SMILES (mnx)	[CH3:1][O:21][C:16]1=[C:12]([OH:18])[CH:4]=[C:8]([C:11]2=[CH:7][O:22][C:14]3=[C:10]([CH:3]=[CH:2][C:9]([OH:17])=[CH:6]3)[C:15]2=[O:20])[CH:5]=[C:13]1[OH:19]

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:230756 chebi:230756 YPSHOHKAIYYZFR-UHFFFAOYSA-N	gliricidin 3-(3,5-dihydroxy-4-methoxyphenyl)-7-hydroxychromen-4-one
lipidmaps:LMPK12050063 lipidmapsM:LMPK12050063 YPSHOHKAIYYZFR-UHFFFAOYSA-N	Gliricidin 3-(3,5-Dihydroxy-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one