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

Properties

Image

Occurences in reactions

MNX_ID

MNXM147869

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₁₅H₂₁O₃

charge

-1

mass

249.14962

reference

InChIKey

DCBBYKNERJKYSH-AHNJNIBGSA-M

InChI

InChI=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

SMILES

C=C(C(=O)[O-])[C@@H]1CC/C(C)=C/CC/C(C)=C/[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141318 chebi:141318	6alpha-hydroxygermacra-1(10),4,11(13)-trien-12-oate
kegg.compound:C21922 keggC:C21922	6alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
seed.compound:cpd35596 seedM:cpd35596	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	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