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

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pisonin E

	Properties	Image
MNX_ID	MNXM108024
reference	chebi:67362
formula	C₁₁H₈O₅
global charge	0
mol weight	220.18
InChIKey	KTEVFEONFQOVDW-UHFFFAOYSA-N
InChI	InChI=1S/C11H8O5/c1-5-2-6(12)9-7(16-5)3-8-11(10(9)13)15-4-14-8/h2-3,13H,4H2,1H3
SMILES	CC1=CC(=O)C2=C(O)C3=C(C=C2O1)OCO3

MNX internals

InChI (mnx)	InChI=1/C11H8O5/c1-5-2-6(12)9-7(16-5)3-8-11(10(9)13)15-4-14-8/h2-3,13H,4H2,1H3
SMILES (mnx)	[CH3:1][C:5]1=[CH:2][C:6](=[O:12])[C:9]2=[C:7]([CH:3]=[C:8]3[C:11](=[C:10]2[OH:13])[O:15][CH2:4][O:14]3)[O:16]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:67362 chebi:67362 KTEVFEONFQOVDW-UHFFFAOYSA-N	pisonin E 5-hydroxy-6,7-methylenedioxy-2-methylchromone 9-hydroxy-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one