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CHEBI:171847 - (1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one

Default Structure
ChEBI IDCHEBI:171847
ChEBI Name(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILESC=C(C(CC=C(C)C)OC(=O)/C(C)=C\C)C1C(OC(C)=O)C(=O)C2(C)OC2C1O
InChIInChI=1S/C22H30O7/c1-8-12(4)21(26)28-15(10-9-11(2)3)13(5)16-17(24)20-22(7,29-20)19(25)18(16)27-14(6)23/h8-9,15-18,20,24H,5,10H2,1-4,6-7H3/b12-8-
InChIKeyNTVBUJOKRXFMAK-WQLSENKSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one (CHEBI:171847) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2-(4-acetyloxy-2-hydroxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl)-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
35014909ChemSpider
HMDB0039971HMDB