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(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvate

PropertiesImage
MNX_IDMNXM722914 Image of MNXM722914
referencechebi:84356
formulaC9H9O5
global charge-1
mol weight197.166
InChIKeyAWPQUULTGMQXTH-UXOMXHMNSA-M
InChIInChI=1S/C9H10O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h3,5,7-8,10H,1-2H2,(H,12,13)/p-1/b4-3+/t5-,7-,8+/m1/s1
SMILESO=C([O-])C(=O)/C=C1\CC[C@@H](O)[C@@H]2O[C@H]12
MNX internals
InChI (mnx)InChI=1/C9H10O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h3,5,7-8,10H,1-2H2,(H,12,13)/b4-3+/t5-,7-,8+/m1/s1 Image of MNXM722914
SMILES (mnx)[CH2:1]1[CH2:2][C@@H:5]([OH:10])[C@H:8]2[C@@H:7](/[C:4]1=[CH:3]/[C:6]([C:9]([OH:12])=[O:13])=[O:11])[O:14]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84356
chebi:84356
AWPQUULTGMQXTH-UXOMXHMNSA-M 		(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvate
(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate
epoxy-3E-H2HPP

kegg.compound:C21086
keggC:C21086
AWPQUULTGMQXTH-UXOMXHMNSA-N 		(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate
Epoxy-3E-H2HPP

CHEBI:85358
chebi:85358
AWPQUULTGMQXTH-UXOMXHMNSA-N 		(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid
(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoic acid
epoxy-3E-H2HPP

metacyc.compound:CPD-17551
metacycM:CPD-17551
seed.compound:cpd34119
seedM:cpd34119
AWPQUULTGMQXTH-UXOMXHMNSA-M 		3-[(2E,5R)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate

keggC:M_C21086
seedM:M_cpd34119 		secondary/obsolete/fantasy identifier