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

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5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone

	Properties	Image
MNX_ID	MNXM118139
reference	hmdb:HMDB0029185
formula	C₁₁H₁₂O₄
global charge	0
mol weight	208.213
InChIKey	ZNXXWTPQHVLMQT-MRVPVSSYSA-N
InChI	InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2/t8-/m1/s1
SMILES	O=C1CC[C@H](CC2=CC(O)=C(O)C=C2)O1

MNX internals

InChI (mnx)	InChI=1/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2/t8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:9]([OH:12])=[C:10]([OH:13])[CH:6]=[C:7]1[CH2:5][C@H:8]1[CH2:2][CH2:4][C:11](=[O:14])[O:15]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
hmdb:HMDB0029185 ZNXXWTPQHVLMQT-MRVPVSSYSA-N	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone (+/-)-delta-(3,4-dihydroxyphenyl)-gamma-valerolactone (5R)-5-[(3,4-Dihydroxyphenyl)methyl]dihydro-2(3H)-furanone (5R)-5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one 5-(3',4'-Dihydroxyphenyl)-g-valerolactone 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone 5-(3,4-Dihydroxyphenyl)-gamma-valerolactone 5-(Dihydroxyphenyl)-gamma-valerolactone 5-(Dihydroxyphenyl)-valerolactone 5-[(3,4-Dihydroxyphenyl)methyl]dihydro-2(3H)-furanone 5-[(3,4-Dihydroxyphenyl)methyl]oxolan-2-one delta-(3,4-Dihydroxyphenyl)-gamma-valerolactone delta-(3,4-dihydroxyphenyl)-gamma-valerolactone
hmdb:HMDB0240472 ZNXXWTPQHVLMQT-UHFFFAOYSA-N	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone 5-(3',4'-Dihydroxyphenyl)-g-valerolactone 5-(3,4-Dihydroxybenzyl)dihydrofuran-2(3H)-one 5-(3,4-Dihydroxyphenyl)-gamma-valerolactone 5-[(3,4-Dihydroxyphenyl)methyl]oxolan-2-one 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
CHEBI:89285 chebi:89285 ZNXXWTPQHVLMQT-UHFFFAOYSA-N	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone 5-(3,4-dihydroxybenzyl)dihydrofuran-2(3H)-one 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
hmdb:HMDB29185	secondary/obsolete/fantasy identifier