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myrtenic acid

PropertiesImage
MNX_IDMNXM12317 Image of MNXM12317
referencechebi:25459
formulaC10H14O2
global charge0
mol weight166.22
InChIKeyXPHVDOXZJRTIMV-UHFFFAOYSA-N
InChIInChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
SMILESCC1(C)C2CC=C(C(=O)O)C1C2
MNX internals
InChI (mnx)InChI=1/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)/t6?,8? Image of MNXM12317
SMILES (mnx)[CH3:1][C:10]1([CH3:2])[CH:6]2[CH2:3][CH:4]=[C:7]([C:9](=[O:11])[OH:12])[CH:8]1[CH2:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:25459
chebi:25459
XPHVDOXZJRTIMV-UHFFFAOYSA-N 		myrtenic acid
6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
myrtenoic acid

envipath:...c5afa679753e
envipathM:...c5afa679753e
XPHVDOXZJRTIMV-UHFFFAOYSA-M 		Myrtenate

lipidmaps:LMPR0102120024
lipidmapsM:LMPR0102120024
XPHVDOXZJRTIMV-UHFFFAOYSA-N 		Myrtenic acid

seed.compound:cpd08737
seedM:cpd08737
kegg.compound:C11940
keggC:C11940
XPHVDOXZJRTIMV-UHFFFAOYSA-M
XPHVDOXZJRTIMV-UHFFFAOYSA-N 		Myrtenic acid
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid

chebi:29635
keggC:M_C11940
seedM:M_cpd08737 		secondary/obsolete/fantasy identifier