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(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate

MNXM9395 is deprecated and here replaced by MNXM731570
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731570 Image of MNXM731570
referencechebi:19733
formulaC10H13O3
global charge-1
mol weight181.211
InChIKeyUJJNLVMCZZZXFW-UHFFFAOYSA-M
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1
SMILESCC1=CC(=O)C(CC(=O)[O-])C1(C)C
MNX internals
InChI (mnx)InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7? Image of MNXM731570
SMILES (mnx)[CH3:1][C:6]1=[CH:4][C:8](=[O:11])[CH:7]([CH2:5][C:9](=[O:12])[OH:13])[C:10]1([CH3:2])[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
IdentifierDescription

CHEBI:19733
chebi:19733
UJJNLVMCZZZXFW-UHFFFAOYSA-M 		(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate
2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetate

CHEBI:28045
chebi:28045
UJJNLVMCZZZXFW-UHFFFAOYSA-N 		(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetic acid
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid
Otmcpa

kegg.compound:C07159
keggC:C07159
UJJNLVMCZZZXFW-UHFFFAOYSA-N 		2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetate
2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetic acid

envipath:...f015c967f8e5
envipathM:...f015c967f8e5
UJJNLVMCZZZXFW-UHFFFAOYSA-M 		2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate

chebi:1244
chebi:37436
keggC:M_C07159 		secondary/obsolete/fantasy identifier