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3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid

PropertiesImage
MNX_IDMNXM117591 Image of MNXM117591
referencechebi:197164
formulaC15H18O3
global charge0
mol weight246.306
InChIKeyFPCQVGOUFYTXFX-UHFFFAOYSA-N
InChIInChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)
SMILESC=C(C(=O)O)C1CCC2(C)C=CC(=O)C(C)=C2C1
MNX internals
InChI (mnx)InChI=1/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)/t11?,15? Image of MNXM117591
SMILES (mnx)[CH2:1]=[C:9]([CH:11]1[CH2:4][CH2:6][C:15]2([CH3:3])[CH:7]=[CH:5][C:13](=[O:16])[C:10]([CH3:2])=[C:12]2[CH2:8]1)[C:14](=[O:17])[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:197164
chebi:197164
FPCQVGOUFYTXFX-UHFFFAOYSA-N 		3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid
hmdb:HMDB0037558
FPCQVGOUFYTXFX-UHFFFAOYSA-N 		3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
2-(4a,8-Dimethyl-7-oxo-1,2,3,4,4a,7-hexahydronaphthalen-2-yl)prop-2-enoate
2-(4a,8-dimethyl-7-oxo-1,2,3,4,4a,7-hexahydronaphthalen-2-yl)prop-2-enoic acid
2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid
3-oxo-1,4,11(13)-Eudesmatrien-12-Oate

hmdb:HMDB37558 		secondary/obsolete/fantasy identifier