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

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ChEBI Name (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
ChEBI ID CHEBI:171715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O4
Net Charge 0
Average Mass 296.407
Monoisotopic Mass 296.19876
InChI InChI=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
InChIKey RTFVWCRRSNVOBR-GBKJKQHASA-N
SMILES OC([C@@]1(CCC(=CCC[C@@](O)(C=C1)C)C)[H])(COC(=O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing (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