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isopimarate

MNXM738975 is deprecated and here replaced by MNXM1371974
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371974 Image of MNXM1371974
referencechebi:58924
formulaC20H29O2
global charge-1
mol weight301.45
InChIKeyMXYATHGRPJZBNA-KRFUXDQASA-M
InChIInChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/p-1/t15-,16+,18-,19+,20+/m0/s1
SMILESC=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)[O-])C1
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1 Image of MNXM1371974
SMILES (mnx)[CH2:1]=[CH:5][C@@:18]1([CH3:2])[CH2:12][CH2:9][C@H:15]2[C:14](=[CH:7][CH2:8][C@@H:16]3[C@:19]2([CH3:3])[CH2:10][CH2:6][CH2:11][C@@:20]3([CH3:4])[C:17](=[O:21])[OH:22])[CH2:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58924
chebi:58924
MXYATHGRPJZBNA-KRFUXDQASA-M 		isopimarate
(13S)-pimara-7,15-dien-18-oate
(13alpha)-pimara-7,15-dien-18-oate
isopimarate anion

sabiork.compound:11209
sabiorkM:11209
kegg.compound:C09118
keggC:C09118
MXYATHGRPJZBNA-KRFUXDQASA-N 		Isopimaric acid
hmdb:HMDB0036811
MXYATHGRPJZBNA-KRFUXDQASA-N 		Isopimaric acid
(+)-Isopimaric acid
(-)-13beta-Methyl-13-vinylpodocarp-7-en-15-Oic acid
(-)-13beta-methyl-13-vinylpodocarp-7-en-15-Oic acid
(1R,4AR,4BS,7S,10ar)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate
(1R,4AR,4BS,7S,10ar)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid
13beta-Methyl-13-vinylpodocarp-7-en-15-Oic acid
13beta-methyl-13-vinylpodocarp-7-en-15-Oic acid
4-Epi-isopimarate
4-Epi-isopimaric acid
7,15-Isopimaradien-18-Oic acid
Isopimarate
Isopimaric acid a
delta7,15-Isopimaric acid
delta7,15-isopimaric acid
isopimaric acid

seed.compound:cpd06014
seedM:cpd06014
MXYATHGRPJZBNA-KRFUXDQASA-M 		Isopimaric acid
IpA
isopimarate
isopimaric acid

CHEBI:6039
chebi:6039
lipidmaps:LMPR0104080010
lipidmapsM:LMPR0104080010
MXYATHGRPJZBNA-KRFUXDQASA-N 		isopimaric acid
(13S)-pimara-7,15-dien-18-oic acid
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
4-Epi-isopimaric acid
Isopimaric acid

hmdb:HMDB36811
keggC:M_C09118
seedM:M_cpd06014 		secondary/obsolete/fantasy identifier