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

ChEBI IDCHEBI:188275
ChEBI Name(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O9
Net Charge0
Average Mass514.571
Monoisotopic Mass514.22028
SMILESCC(=O)OC1CC2C(C)(C)OC3CC(=O)OC2(C3)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
InChIInChI=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
InChIKeyMZPMDBUZYDUIEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
HMDB0035079HMDB
35013839ChemSpider