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

Feedback

(E)-ascladiol

MNXM119390 is deprecated and here replaced by MNXM727254
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM727254
reference	chebi:145112
formula	C₇H₈O₄
global charge	0
mol weight	156.137
InChIKey	HLJKDERCZVTVSN-LZCJLJQNSA-N
InChI	InChI=1S/C7H8O4/c8-2-1-6-5(4-9)3-7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
SMILES	O=C1C=C(CO)/C(=C\CO)O1

MNX internals

InChI (mnx)	InChI=1/C7H8O4/c8-2-1-6-5(4-9)3-7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
SMILES (mnx)	[CH:1](\[CH2:2][OH:8])=[C:6]1\[C:5]([CH2:4][OH:9])=[CH:3][C:7](=[O:10])[O:11]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145112 chebi:145112 HLJKDERCZVTVSN-LZCJLJQNSA-N	(E)-ascladiol (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2(5H)-one ascladiol
seed.compound:cpd32530 seedM:cpd32530 HLJKDERCZVTVSN-LZCJLJQNSA-N	(5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one (E)-ascladiol ascladiol
metacyc.compound:CPD-16727 metacycM:CPD-16727 HLJKDERCZVTVSN-LZCJLJQNSA-N	(E)-ascladiol (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one ascladiol
seedM:M_cpd32530	secondary/obsolete/fantasy identifier