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dehydroabietate

MNXM6233 is deprecated and here replaced by MNXM1108389
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108389

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₀H₂₇O₂

charge

-1

mass

299.20165

reference

InChIKey

NFWKVWVWBFBAOV-MISYRCLQSA-M

InChI

InChI=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

SMILES

CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58621 chebi:58621	dehydroabietate abieta-8,11,13-trien-18-oate
lipidmaps:LMPR0104050005 lipidmapsM:LMPR0104050005	Dehydroabietic acid
sabiork.compound:14118 sabiorkM:14118 kegg.compound:C12078 keggC:C12078	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	dehydroabietate DhA dehydroabietic acid
CHEBI:29571 chebi:29571	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
keggC:M_C12078	secondary/obsolete/fantasy identifier