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CHEBI:171715 - (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol

ChEBI IDCHEBI:171715
ChEBI Name(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O4
Net Charge0
Average Mass296.407
Monoisotopic Mass296.19876
SMILES[H][C@]1(C(C)(O)COC(C)=O)/C=C/[C@](C)(O)CC/C=C(\C)CC1
InChIInChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16-,17?/m1/s1
InChIKeyRTFVWCRRSNVOBR-GBKJKQHASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol (CHEBI:171715) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
[2-hydroxy-2-[(1R,2E,4R,7E)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl] acetate