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CHEBI:182520 - 6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate

ChEBI IDCHEBI:182520
ChEBI Name6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C(C(=O)O)[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O
InChIInChI=1S/C15H22O4/c1-9-5-4-6-10(2)8-13(17)14(12(16)7-9)11(3)15(18)19/h5,8,12-14,16-17H,3-4,6-7H2,1-2H3,(H,18,19)/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKeyQSQCRXKRLUTFEL-OURLZOILSA-N
ChEBI Ontology
Outgoing Relation(s)
6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:182520) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Manual XrefsDatabases
C22050KEGG COMPOUND