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

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Gyrocyanin

	Properties	Image
MNX_ID	MNXM126356
reference	chebi:174127
formula	C₁₇H₁₂O₅
global charge	0
mol weight	296.278
InChIKey	DIFAFZFNMSLGGN-UHFFFAOYSA-N
InChI	InChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H
SMILES	O=C1C(O)=C(C2=CC=C(O)C=C2)C(=O)C1C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H/t13?
SMILES (mnx)	[CH:1]1=[CH:5][C:11]([OH:18])=[CH:6][CH:2]=[C:9]1[CH:13]1[C:15](=[O:20])[C:14]([C:10]2=[CH:4][CH:8]=[C:12]([OH:19])[CH:7]=[CH:3]2)=[C:17]([OH:22])[C:16]1=[O:21]

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:174127 chebi:174127 DIFAFZFNMSLGGN-UHFFFAOYSA-N	Gyrocyanin 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
hmdb:HMDB0034126 DIFAFZFNMSLGGN-UHFFFAOYSA-N	Gyrocyanin 3,5-Bis(4-hydroxyphenyl)-1,2,4-cyclopentanetrione 4-Hydroxy-2,5-bis(4-hydroxyphenyl)-4-cyclopentene-1,3-dione, 9ci 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
hmdb:HMDB34126	secondary/obsolete/fantasy identifier