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(9R,13R)-12-oxophytodienoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM13629

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₂₈O₃

charge

mass

292.20384

reference

InChIKey

PMTMAFAPLCGXGK-GTOOTHNYSA-N

InChI

InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

SMILES

CC/C=C\C[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34005 chebi:34005	(9R,13R)-12-oxophytodienoic acid 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid
kegg.compound:C13816 keggC:C13816	(9R,13R)-12-Oxo-phytodienoic acid (10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid (9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid
seed.compound:cpd09636 seedM:cpd09636	(9R,13R)-12-Oxo-phytodienoic acid (10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid (9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid (9R,13R)-12-oxophytodienoate (9R,13R)-12-oxophytodienoic acid 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanate
metacyc.compound:CPD-21296 metacycM:CPD-21296	(9R,13R)-12-oxophytodienoate (9R,13R)-12-oxophytodienoic acid 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanate
CHEBI:59427 chebi:59427	(9R,13R)-12-oxophytodienoate 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate
keggC:M_C13816 seedM:M_cpd09636	secondary/obsolete/fantasy identifier