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

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5H-indene

	Properties	Image
MNX_ID	MNXM38411
reference	chebi:33056
formula	C₉H₈
global charge	0
mol weight	116.163
InChIKey	QPRAQLAXVQPPKA-UHFFFAOYSA-N
InChI	InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1,3-7H,2H2
SMILES	C1=CC2=CCC=CC2=C1

MNX internals

InChI (mnx)	InChI=1/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1,3-7H,2H2
SMILES (mnx)	[CH:1]1=[CH:4][C:8]2=[CH:6][CH:3]=[CH:7][C:9]2=[CH:5][CH2:2]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:33056 chebi:33056 QPRAQLAXVQPPKA-UHFFFAOYSA-N	5H-indene