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

PropertiesImage
MNX_IDMNXM731571 Image of MNXM731571
referencechebi:64815
formulaC10H13O3
global charge-1
mol weight181.211
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-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/t7-/m0/s1
SMILESCC1=CC(=O)[C@H](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-/m0/s1 Image of MNXM731571
SMILES (mnx)[CH3:1][C:6]1=[CH:4][C:8](=[O:11])[C@H: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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64815
chebi:64815
UJJNLVMCZZZXFW-ZETCQYMHSA-M 		[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetate
[(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetate
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate

seed.compound:cpd04415
seedM:cpd04415
UJJNLVMCZZZXFW-ZETCQYMHSA-M 		2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid
2-oxo-delta3-4,5,5-trimethylcyclopentenylacetate
[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
[(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetate

kegg.compound:C20271
keggC:C20271
UJJNLVMCZZZXFW-ZETCQYMHSA-N 		[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate

metacyc.compound:CPD-866
metacycM:CPD-866
UJJNLVMCZZZXFW-ZETCQYMHSA-M 		[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
2-oxo-Delta3-4,5,5-trimethylcyclopentenylacetate
2-oxo-Delta3-4,5,5-trimethylcyclopentenylacetic acid
OTE
[(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetate

CHEBI:64817
chebi:64817
UJJNLVMCZZZXFW-ZETCQYMHSA-N 		[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid

keggC:M_C20271
seedM:M_cpd04415 		secondary/obsolete/fantasy identifier