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germacra-1(10),4,11(13)-trien-12-oate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1830

	#reac
in my sandbox	0
in MNXref (generic)	30
in models (compartimentalized)	0

formula

C₁₅H₂₁O₂

charge

-1

mass

233.32604

reference

InChIKey

IBJVPIJUFFVDBS-JBMXZMKISA-M

InChI

InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/p-1/b11-5+,12-8+/t14-/m1/s1

SMILES

C\C1=C/C[C@@H](CC\C(C)=C\CC1)C(=C)C([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61301 chebi:61301	germacra-1(10),4,11(13)-trien-12-oate 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoate germacrene acid anion
kegg.compound:C19678 keggC:C19678	Germacrene A acid Germacra-1(10),4,11(13)-trien-12-oate
seed.compound:cpd20926 seedM:cpd20926	Germacrene A acid Germacra-1(10),4,11(13)-trien-12-oate germacra-1(10),4,11(13)-trien-12-oate germacra-1(10),4,11(13)-trien-12-oic acid germacrene acid
metacyc.compound:CPD-9413 metacycM:CPD-9413	germacra-1(10),4,11(13)-trien-12-oate germacra-1(10),4,11(13)-trien-12-oic acid germacrene acid
CHEBI:61305 chebi:61305	germacra-1(10),4,11(13)-trien-12-oic acid 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid germacrene acid
keggC:M_C19678 seedM:M_cpd20926	secondary/obsolete/fantasy identifier