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(+)-7-isojasmonate

PropertiesImage
MNX_IDMNXM5997 Image of MNXM5997
referencechebi:136179
formulaC12H17O3
global charge-1
mol weight209.265
InChIKeyZNJFBWYDHIGLCU-QKMQQOOLSA-M
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10+/m1/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1 Image of MNXM5997
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][C@H:10]1[C@@H:9]([CH2:8][C:12](=[O:14])[OH:15])[CH2:6][CH2:7][C:11]1=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136179
chebi:136179
ZNJFBWYDHIGLCU-QKMQQOOLSA-M 		(+)-7-isojasmonate
{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate

SLM:000597953
slm:000597953
ZNJFBWYDHIGLCU-QKMQQOOLSA-M 		( )-7-isojasmonate

kegg.compound:C16317
keggC:C16317
ZNJFBWYDHIGLCU-QKMQQOOLSA-N 		(+)-7-Isojasmonic acid

seed.compound:cpd15033
seedM:cpd15033
ZNJFBWYDHIGLCU-QKMQQOOLSA-M 		(+)-7-Isojasmonic acid
(+)-7-epi-jasmonate
(+)-7-iso-jasmonate
(+)-7-iso-jasmonic acid
(3R,7S)-(+)-7-iso-jasmonate
iso-jasmonic acid

metacyc.compound:CPD-731
metacycM:CPD-731
ZNJFBWYDHIGLCU-QKMQQOOLSA-M 		(+)-7-epi-jasmonate
(+)-7-iso-jasmonate
(+)-7-iso-jasmonic acid
(3R,7S)-(+)-7-iso-jasmonate
iso-jasmonic acid

CHEBI:18435
chebi:18435
ZNJFBWYDHIGLCU-QKMQQOOLSA-N 		(+)-7-isojasmonic acid
(+)-7-iso-jasmonic acid
(+)-Epijasmonic acid
2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid

lipidmaps:LMFA02020003
lipidmapsM:LMFA02020003
ZNJFBWYDHIGLCU-QKMQQOOLSA-N 		(3R,7S)-iso-jasmonic acid
(+)-7-iso-jasmonic acid
(1R,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneacetic acid
(3R,7S)-epi-jasmonic acid
FA 12:3
O
hmdb:HMDB0303804
ZNJFBWYDHIGLCU-QKMQQOOLSA-N 		7-Epijasmonic acid
(+)-7-Isojasmonate
(+)-7-iso-jasmonic acid
(+)-Epijasmonate
(+)-Epijasmonic acid
2-[(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetic acid
2-[(1R,2S)-3-oxo-2-[(Z)-Pent-2-enyl]cyclopentyl]acetate
2-[(1R,2S)-3-oxo-2-[(Z)-Pent-2-enyl]cyclopentyl]acetic acid
7-Epijasmonate

keggC:M_C16317
seedM:M_cpd15033 		secondary/obsolete/fantasy identifier