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(3S,7R)-iso-jasmonic acid

PropertiesImage
MNX_IDMNXM31150 Image of MNXM31150
referencechebi:184618
formulaC12H18O3
global charge0
mol weight210.273
InChIKeyZNJFBWYDHIGLCU-RWCMCFKCSA-N
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)/b4-3-/t9-,10+/m0/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+/m0/s1 Image of MNXM31150
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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184618
chebi:184618
ZNJFBWYDHIGLCU-RWCMCFKCSA-N 		(3S,7R)-iso-jasmonic acid
2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

seed.compound:cpd24601
seedM:cpd24601
ZNJFBWYDHIGLCU-RWCMCFKCSA-M 		(-)-7-iso-JA
(-)-7-iso-jasmonate
(3S,7R)-(-)-7-iso-jasmonate

metacyc.compound:CPD-5941
metacycM:CPD-5941
ZNJFBWYDHIGLCU-RWCMCFKCSA-M 		(-)-7-iso-jasmonate
(-)-7-iso-JA
(3S,7R)-(-)-7-iso-jasmonate

lipidmaps:LMFA02020004
lipidmapsM:LMFA02020004
ZNJFBWYDHIGLCU-RWCMCFKCSA-N 		(3S,7R)-iso-jasmonic acid
(-)-7-iso-jasmonic acid
(1S,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneacetic acid
(3S,7R)-epi-jasmonic acid
FA 12:3
O

seedM:M_cpd24601 		secondary/obsolete/fantasy identifier