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

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mucidin

	Properties	Image
MNX_ID	MNXM130925
reference	chebi:78156
formula	C₁₆H₁₈O₃
global charge	0
mol weight	258.317
InChIKey	JSCQSBGXKRTPHZ-SYKZHUKTSA-N
InChI	InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8-,15-12+
SMILES	CO/C=C(C(=O)OC)\C(C)=C/C=C/C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8-,15-12+
SMILES (mnx)	[CH3:1][C:13](=[CH:8]/[CH:7]=[CH:11]/[C:14]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)/[C:15](=[CH:12]\[O:18][CH3:2])[C:16](=[O:17])[O:19][CH3:3]

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:78156 chebi:78156 JSCQSBGXKRTPHZ-SYKZHUKTSA-N	mucidin Mucidermin Strobilurin A methyl (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoate