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dehydroabietate

MNXM738910 is deprecated and here replaced by MNXM1108389
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108389 Image of MNXM1108389
referencechebi:58621
formulaC20H27O2
global charge-1
mol weight299.434
InChIKeyNFWKVWVWBFBAOV-MISYRCLQSA-M
InChIInChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/p-1/t17-,19-,20-/m1/s1
SMILESCC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C
MNX internals
InChI (mnx)InChI=1/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 Image of MNXM1108389
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C:14]1=[CH:6][CH:8]=[C:16]2[C:15](=[CH:12]1)[CH2:7][CH2:9][C@@H:17]1[C@:19]2([CH3:3])[CH2:10][CH2:5][CH2:11][C@@:20]1([CH3:4])[C:18](=[O:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58621
chebi:58621
NFWKVWVWBFBAOV-MISYRCLQSA-M 		dehydroabietate
abieta-8,11,13-trien-18-oate

seed.compound:cpd08864
seedM:cpd08864
NFWKVWVWBFBAOV-MISYRCLQSA-M 		Dehydroabietate
(-)-Dehydroabietic acid
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
Abieta-8,11,13-trien-18-oic acid
Dehydroabietic acid
DhA
dehydroabietate
dehydroabietic acid

lipidmaps:LMPR0104050005
lipidmapsM:LMPR0104050005
NFWKVWVWBFBAOV-MISYRCLQSA-N 		Dehydroabietic acid
hmdb:HMDB0061925
NFWKVWVWBFBAOV-MISYRCLQSA-N 		Dehydroabietic acid
(+)-Dehydroabietic acid
(-)-Dehydroabietate
(-)-Dehydroabietic acid
(-)-dehydroabietic acid
(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
13-Isopropylpodocarpa-8,11,13-trien-15-Oate
13-Isopropylpodocarpa-8,11,13-trien-15-Oic acid
Abieta-8,11,13-trien-18-Oate
Abieta-8,11,13-trien-18-Oic acid
Dehydroabietate

sabiork.compound:14118
sabiorkM:14118
kegg.compound:C12078
keggC:C12078
NFWKVWVWBFBAOV-MISYRCLQSA-N 		Dehydroabietic acid
(-)-Dehydroabietic acid
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
Abieta-8,11,13-trien-18-oic acid
Dehydroabietate

metacyc.compound:CPD-8725
metacycM:CPD-8725
NFWKVWVWBFBAOV-MISYRCLQSA-M 		dehydroabietate
dehydroabietic acid

CHEBI:29571
chebi:29571
NFWKVWVWBFBAOV-MISYRCLQSA-N 		dehydroabietic acid
(-)-Dehydroabietic acid
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
Abieta-8,11,13-trien-18-oic acid
Dehydroabietate
Dehydroabietic acid
abieta-8,11,13-trien-18-oic acid

hmdb:HMDB61925
keggC:M_C12078
seedM:M_cpd08864 		secondary/obsolete/fantasy identifier