CHEBI:188275 - (7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide

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ChEBI Name (7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide
ChEBI ID CHEBI:188275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O9
Net Charge 0
Average Mass 514.571
Monoisotopic Mass 514.22028
InChI InChI=1S/C28H34O9/c1-14(29)33-19-11-18-24(2,3)35-16-10-20(30)36-27(18,12-16)17-6-8-25(4)21(15-7-9-32-13-15)34-23(31)22-28(25,37-22)26(17,19)5/h7,9,13,16-19,21-22H,6,8,10-12H2,1-5H3
InChIKey MZPMDBUZYDUIEJ-UHFFFAOYSA-N
SMILES O1C23C4(C(C56OC(=O)CC(OC(C5CC4OC(=O)C)(C)C)C6)CCC2(C(OC(=O)C13)C=7C=COC7)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing (7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide (CHEBI:188275) is a organic heterotricyclic compound (CHEBI:26979)
(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide (CHEBI:188275) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[6-(uran-3-yl)-5,12,16,16-tetramethyl-8,20-dioxo-7,10,17,21-tetraoxahexacyclo[16.3.1.01,15.02,12.05,11.09,11]docosan-13-yl] acetate
Manual Xrefs Databases
35013839 ChemSpider
HMDB0035079 HMDB
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