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ent-kaur-16-en-19-oate

MNXM1424 is deprecated and here replaced by MNXM728350
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728350 Image of MNXM728350
referencechebi:57297
formulaC20H29O2
global charge-1
mol weight301.45
InChIKeyNIKHGUQULKYIGE-OTCXFQBHSA-M
InChIInChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/p-1/t14-,15+,16+,18-,19-,20-/m1/s1
SMILESC=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)[O-])[C@@H]2CC[C@@H]1C3
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1 Image of MNXM728350
SMILES (mnx)[CH2:1]=[C:13]1[CH2:11][C@@:20]23[CH2:10][CH2:7][C@H:15]4[C@@:18]([CH3:2])([CH2:8][CH2:4][CH2:9][C@@:19]4([CH3:3])[C:17](=[O:21])[OH:22])[C@@H:16]2[CH2:6][CH2:5][C@@H:14]1[CH2:12]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)27
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57297
chebi:57297
NIKHGUQULKYIGE-OTCXFQBHSA-M 		ent-kaur-16-en-19-oate
hmdb:HMDB0302664
NIKHGUQULKYIGE-OTCXFQBHSA-N 		(-)-Kaur-16-en-19-oic acid
(-)-Kaur-16-en-19-Oate
(-)-Kaur-16-en-19-Oic acid
(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
(5b,8a,9b,10a,13a)-Kaur-16-en-18-Oate
(5b,8a,9b,10a,13a)-Kaur-16-en-18-Oic acid
(5beta,8alpha,9beta,10alpha,13alpha)-Kaur-16-en-18-Oate
(5beta,8alpha,9beta,10alpha,13alpha)-Kaur-16-en-18-Oic acid
(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-Oate
(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-Oic acid
3beta-Hydroxy-kaurenoic acid
Kaur-16-en-18-Oate
Kaur-16-en-18-Oic acid
Kauren-19-Oate
Kauren-19-Oic acid
Kaurenate
Kaurenic acid
Kaurenoate
Kaurenoic acid
ent-Kaur-16(17)-en-19-Oate
ent-Kaur-16(17)-en-19-Oic acid
ent-Kaur-16-en-18-Oic acid
ent-Kaur-16-en-19-Oate
ent-Kaur-16-en-19-Oic acid
ent-Kaurenoate
ent-Kaurenoic acid

kegg.compound:C11874
keggC:C11874
NIKHGUQULKYIGE-OTCXFQBHSA-N 		Kaur-16-en-18-oic acid
(-)-Kaur-16-en-19-oic acid
Kaurenic acid
Kaurenoic acid
ent-Kaur-16(17)-en-19-oic acid
ent-Kaur-16-en-19-oate
ent-Kaur-16-en-19-oic acid
ent-Kaurenoic acid

seed.compound:cpd08672
seedM:cpd08672
NIKHGUQULKYIGE-OTCXFQBHSA-M 		Kaurenic acid
(-)-Kaur-16-en-19-oic acid
Kaur-16-en-18-oic acid
Kaurenoic acid
ent-Kaur-16(17)-en-19-oic acid
ent-Kaur-16-en-19-oate
ent-Kaur-16-en-19-oic acid
ent-Kaurenoic acid
ent-kaur-16-en-19-oate
ent-kaurenoate
ent-kaurenoic acid

metacyc.compound:CPD1F-132
metacycM:CPD1F-132
NIKHGUQULKYIGE-OTCXFQBHSA-M 		ent-kaur-16-en-19-oate
ent-kaurenoate
ent-kaurenoic acid

CHEBI:15417
chebi:15417
NIKHGUQULKYIGE-OTCXFQBHSA-N 		ent-kaur-16-en-19-oic acid
(-)-Kaur-16-en-19-oic acid
(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid
Kaur-16-en-18-oic acid
Kauren-19-oic acid
Kaurenic acid
Kaurenoic acid
ent-Kaur-16(17)-en-19-oic acid
ent-Kaurenoic acid

chebi:10787
chebi:12815
chebi:132865
chebi:23921
chebi:24953
chebi:29610
keggC:M_C11874
seedM:M_cpd08672 		secondary/obsolete/fantasy identifier