CHEBI:61301 - germacra-1(10),4,11(13)-trien-12-oate

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ChEBI Name germacra-1(10),4,11(13)-trien-12-oate ChEBI ID CHEBI:61301 Definition A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of germacra-1(10),4,11(13)-trien-12-oic acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H21O2 Net Charge -1 Average Mass 233.32600 Monoisotopic Mass 233.15470 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 InChIKey IBJVPIJUFFVDBS-JBMXZMKISA-M SMILES C\C1=C/CC\C(C)=C\C[C@@H](CC1)C(=C)C([O-])=O ChEBI Ontology Outgoing germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) is a monocarboxylic acid anion (CHEBI:35757) germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) is conjugate base of germacra-1(10),4,11(13)-trien-12-oic acid (CHEBI:61305) Incoming 6α,8β-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142466) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) 8α-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142490) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) 8β-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142464) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) germacra-1(10),4,11(13)-trien-12-oic acid (CHEBI:61305) is conjugate acid of germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) IUPAC Name 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoate Synonyms Sources germacra-1(10),4,11(13)-trien-12-oate UniProt germacrene acid anion ChEBI Manual Xref Database CPD-9413 MetaCyc View more database links Citation Type Source 12011356 PubMed citation SUBMITTER Last Modified 10 February 2011