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

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Bisacurol

	Properties	Image
MNX_ID	MNXM119817
reference	chebi:195964
formula	C₁₅H₂₄O
global charge	0
mol weight	220.356
InChIKey	KRPZTCZJBVPGEM-UHFFFAOYSA-N
InChI	InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3
SMILES	C=C1C=CC(C(C)CC(O)C=C(C)C)CC1

MNX internals

InChI (mnx)	InChI=1/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3/t13?,14?,15?
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:9][CH:15]([CH2:10][CH:13]([CH3:4])[CH:14]1[CH:7]=[CH:5][C:12](=[CH2:3])[CH2:6][CH2:8]1)[OH:16]

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
hmdb:HMDB0038512 CHEBI:195964 chebi:195964 KRPZTCZJBVPGEM-UHFFFAOYSA-N	Bisacurol 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol
hmdb:HMDB38512	secondary/obsolete/fantasy identifier