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CHEBI:177479 - Pseudo-Anisatin

ChEBI IDCHEBI:177479
ChEBI NamePseudo-Anisatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESC[C@H]1C[C@@H](O)[C@]2(O)[C@@]13CC(=O)OC[C@@]2(C)[C@](C)(O)C(=O)C3
InChIInChI=1S/C15H22O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8-9,16,19-20H,4-7H2,1-3H3/t8-,9+,12-,13+,14-,15+/m0/s1
InChIKeyNOHXYGXFTACADH-JHLBFKOCSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Pseudo-Anisatin (CHEBI:177479) is a lactone (CHEBI:25000)
IUPAC Name 
(1S,2S,4R,5S,6R,13S)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
Manual XrefsDatabases
21111718ChemSpider