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tuberonate

PropertiesImage
MNX_IDMNXM736696 Image of MNXM736696
referencechebi:136182
formulaC12H17O4
global charge-1
mol weight225.264
InChIKeyRZGFUGXQKMEMOO-SZXTZRQCSA-M
InChIInChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/p-1/b2-1-/t9-,10+/m1/s1
SMILESO=C([O-])C[C@H]1CCC(=O)[C@H]1C/C=C\CCO
MNX internals
InChI (mnx)InChI=1/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1 Image of MNXM736696
SMILES (mnx)[CH:1](=[CH:2]\[CH2:4][C@H:10]1[C@@H:9]([CH2:8][C:12](=[O:15])[OH:16])[CH2:5][CH2:6][C:11]1=[O:14])\[CH2:3][CH2:7][OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136182
chebi:136182
RZGFUGXQKMEMOO-SZXTZRQCSA-M 		tuberonate
(+)-12-hydroxy-7-isojasmonate
{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate

seed.compound:cpd21802
seedM:cpd21802
RZGFUGXQKMEMOO-UPHRSURJSA-M 		12-Hydroxyjasmonates
hmdb:HMDB0303749
RZGFUGXQKMEMOO-SZXTZRQCSA-N 		7-Epi-12-hydroxyjasmonic acid
(+)-12-Hydroxy-7-isojasmonate
(+)-12-Hydroxy-7-isojasmonic acid
(1R,2S)-3-oxo-2-(5'-Hydroxy-2'z-pentenyl)-cyclopentaneacetate
(1R,2S)-3-oxo-2-(5'-Hydroxy-2'z-pentenyl)-cyclopentaneacetic acid
12-Hydroxy-epi-jasmonate
12-Hydroxy-epi-jasmonic acid
2-[(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl]acetic acid
7-Epi-12-hydroxyjasmonate
Tuberonate
tuberonic acid

lipidmaps:LMFA02020007
lipidmapsM:LMFA02020007
RZGFUGXQKMEMOO-SZXTZRQCSA-N 		Tuberonic acid
(1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid
FA 12:3
O2

seed.compound:cpd22921
seedM:cpd22921
RZGFUGXQKMEMOO-SZXTZRQCSA-M 		Z-12-hydroxyjasmonate
cis-12-OHJA
cis-12-hydroxy-JA
cis-12-hydroxyjasmonate
cis-12-hydroxyjasmonic acid
cis-tuberonic acid

CHEBI:136810
chebi:136810
RZGFUGXQKMEMOO-UPHRSURJSA-M 		a 12-hydroxyjasmonate
12-hydroxyjasmonates
{2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate

metacyc.compound:CPD-11260
metacycM:CPD-11260
RZGFUGXQKMEMOO-SZXTZRQCSA-M 		cis-tuberonic acid
Z-12-hydroxyjasmonate
cis-12-OHJA
cis-12-hydroxy-JA
cis-12-hydroxyjasmonate
cis-12-hydroxyjasmonic acid

CHEBI:133220
chebi:133220
RZGFUGXQKMEMOO-SZXTZRQCSA-N 		tuberonic acid
(+)-12-hydroxy-7-isojasmonic acid
(1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid
12-hydroxy-epi-jasmonic acid
{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid

metacyc.compound:12-Hydroxyjasmonates
metacycM:12-Hydroxyjasmonates
RZGFUGXQKMEMOO-UPHRSURJSA-M 		tuberonic acid
(+/-)-12-hydroxyjasmonate
12-OHJA
12-hydroxy epi-jasmonic acid
12-hydroxy-JA
12-hydroxyjasmonate
12-hydroxyjasmonic acid
{(1R,2R)-2-[(2Z)-5-hydroxypent-2-enyl]-3-oxo-cyclopentyl}acetate

seedM:M_cpd21802
seedM:M_cpd22921 		secondary/obsolete/fantasy identifier