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6alpha-hydroxygermacra-1(10),4,11(13)-trien-12-oate

PropertiesImage
MNX_IDMNXM147869 Image of MNXM147869
referencechebi:141318
formulaC15H21O3
global charge-1
mol weight249.33
InChIKeyDCBBYKNERJKYSH-AHNJNIBGSA-M
InChIInChI=1S/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h5,9,13-14,16H,3-4,6-8H2,1-2H3,(H,17,18)/p-1/b10-5+,11-9+/t13-,14+/m0/s1
SMILESC=C(C(=O)[O-])[C@@H]1CC/C(C)=C/CC/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/h5,9,13-14,16H,3-4,6-8H2,1-2H3,(H,17,18)/b10-5+,11-9+/t13-,14+/m0/s1 Image of MNXM147869
SMILES (mnx)[CH3:1]/[C:10]1=[CH:5]\[CH2:4][CH2:6]/[C:11]([CH3:2])=[CH:9]/[C@@H:14]([OH:16])[C@H:13]([C:12](=[CH2:3])[C:15](=[O:17])[OH:18])[CH2:8][CH2:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141318
chebi:141318
DCBBYKNERJKYSH-AHNJNIBGSA-M 		6alpha-hydroxygermacra-1(10),4,11(13)-trien-12-oate

CHEBI:182505
chebi:182505
DCBBYKNERJKYSH-AHNJNIBGSA-N 		2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
2-[(1S,2R,3E,7E)-2-hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid

kegg.compound:C21922
keggC:C21922
DCBBYKNERJKYSH-AHNJNIBGSA-N 		6alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate

seed.compound:cpd35596
seedM:cpd35596
DCBBYKNERJKYSH-AHNJNIBGSA-M 		6alpha-germacrene A acid
6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oate
6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oic acid

metacyc.compound:CPD-16700
metacycM:CPD-16700
DCBBYKNERJKYSH-AHNJNIBGSA-M 		6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oate
6alpha-germacrene A acid
6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oic acid

keggC:M_C21922
seedM:M_cpd35596 		secondary/obsolete/fantasy identifier