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

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Dillapiole

	Properties	Image
MNX_ID	MNXM104583
reference	chebi:70453
formula	C₁₂H₁₄O₄
global charge	0
mol weight	222.24
InChIKey	LIKYNOPXHGPMIH-UHFFFAOYSA-N
InChI	InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
SMILES	C=CCC1=CC2=C(OCO2)C(OC)=C1OC

MNX internals

InChI (mnx)	InChI=1/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
SMILES (mnx)	[CH2:1]=[CH:4][CH2:5][C:8]1=[CH:6][C:9]2=[C:11]([C:12]([O:14][CH3:3])=[C:10]1[O:13][CH3:2])[O:16][CH2:7][O:15]2

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:70453 chebi:70453 LIKYNOPXHGPMIH-UHFFFAOYSA-N	Dillapiole 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole Dillapiol
kegg.compound:C10449 keggC:C10449 LIKYNOPXHGPMIH-UHFFFAOYSA-N	Dillapiole Dillapiol
hmdb:HMDB0030725 LIKYNOPXHGPMIH-UHFFFAOYSA-N	Dillapiol 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)- (9ci) 1-Allyl-2,3-dimethoxy-4,5-(methylenedioxy)-benzene 1-Allyl-2,3-dimethoxy-4,5-(methylenedioxy)benzene 1-Allyl-2,3-dimethoxy-4,5-methylenedioxybenzene 2-Methyl-5-(1-methylethenyl)-1,3-benzodioxole 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole, 9ci 4,5-dimethoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole 5-Allyl 6,7-dimethoxy 1,3-benzodioxole 6-Allyl-4,5-dimethoxy-1,3-benzodioxole Apiole (dill) Dill apiol Dill apiole Dillapiole dillapiol
seed.compound:cpd07335 seedM:cpd07335 LIKYNOPXHGPMIH-UHFFFAOYSA-N	Dillapiol Dillapiole
hmdb:HMDB30725 chebi:4600 keggC:M_C10449 seedM:M_cpd07335	secondary/obsolete/fantasy identifier