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8beta-hydroxygermacra-1(10),4,11(13)-trien-12-oate

PropertiesImage
MNX_IDMNXM147885 Image of MNXM147885
referencechebi:142464
formulaC15H21O3
global charge-1
mol weight249.33
InChIKeyRSVUVHWOGWOXAY-BQULMBIYSA-M
InChIInChI=1S/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h6-7,13-14,16H,3-5,8-9H2,1-2H3,(H,17,18)/p-1/b10-7+,11-6+/t13-,14-/m1/s1
SMILESC=C(C(=O)[O-])[C@H]1C/C=C(\C)CC/C=C(\C)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h6-7,13-14,16H,3-5,8-9H2,1-2H3,(H,17,18)/b10-7+,11-6+/t13-,14-/m1/s1 Image of MNXM147885
SMILES (mnx)[CH3:1]/[C:10]1=[CH:7]\[CH2:8][C@H:13]([C:12](=[CH2:3])[C:15](=[O:17])[OH:18])[C@H:14]([OH:16])[CH2:9]/[C:11]([CH3:2])=[CH:6]/[CH2:4][CH2:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142464
chebi:142464
RSVUVHWOGWOXAY-BQULMBIYSA-M 		8beta-hydroxygermacra-1(10),4,11(13)-trien-12-oate

CHEBI:182506
chebi:182506
RSVUVHWOGWOXAY-BQULMBIYSA-N 		8beta-Hydroxygermacrene A acid
2-[(1R,3E,7E,10R)-10-hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid

kegg.compound:C22049
keggC:C22049
RSVUVHWOGWOXAY-BQULMBIYSA-N 		8beta-Hydroxygermacrene A acid
8beta-Hydroxygermacra-1(10),4,11(13)-trien-12-oate

seed.compound:cpd31908
seedM:cpd31908
RSVUVHWOGWOXAY-BQULMBIYSA-M 		8beta-hydroxy germacrene A acid
8beta-hydroxy-germacra-1(10),4,11(13)-trien-12-oate

metacyc.compound:CPD-16701
metacycM:CPD-16701
RSVUVHWOGWOXAY-BQULMBIYSA-M 		8beta-hydroxy-germacra-1(10),4,11(13)-trien-12-oate
8beta-hydroxy germacrene A acid

keggC:M_C22049
seedM:M_cpd31908 		secondary/obsolete/fantasy identifier