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1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid

PropertiesImage
MNX_IDMNXM116215 Image of MNXM116215
referencechebi:195566
formulaC15H20O3
global charge0
mol weight248.322
InChIKeyGQPOONXHFROSAO-UHFFFAOYSA-N
InChIInChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)
SMILESC=C(C(=O)O)C1CCC2(C)C(O)C=CC(=C)C2C1
MNX internals
InChI (mnx)InChI=1/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)/t11?,12?,13?,15? Image of MNXM116215
SMILES (mnx)[CH2:1]=[C:9]1[CH:4]=[CH:5][CH:13]([OH:16])[C:15]2([CH3:3])[CH2:7][CH2:6][CH:11]([C:10](=[CH2:2])[C:14](=[O:17])[OH:18])[CH2:8][CH:12]12
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:195566
chebi:195566
GQPOONXHFROSAO-UHFFFAOYSA-N 		1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid
2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid
hmdb:HMDB0037557
GQPOONXHFROSAO-UHFFFAOYSA-N 		1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid
1a-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-Oate
1a-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-Oic acid
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-Oate
1alpha-1-hydroxy-2,4(18),11(13)-eudesmatrien-12-Oate
1alpha-1-hydroxy-2,4(18),11(13)-eudesmatrien-12-Oic acid
2-(5-Hydroxy-4a-methyl-8-methylidene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)prop-2-enoate
2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid

hmdb:HMDB37557 		secondary/obsolete/fantasy identifier