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CHEBI:207636 - Decaspirone B

ChEBI IDCHEBI:207636
ChEBI NameDecaspirone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O6
Net Charge0
Average Mass380.396
Monoisotopic Mass380.12599
SMILESCC(=O)O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C22H20O6/c1-12(23)26-16-9-8-15(25)21-20(16)14(24)10-11-22(21)27-17-6-2-4-13-5-3-7-18(28-22)19(13)17/h2-11,14-16,20-21,24-25H,1H3/t14-,15+,16-,20+,21+/m0/s1
InChIKeyFRGSTJNRJXFGJS-NUJXGAOPSA-N
Species of MetaboliteComponentSourceComments
Decaisnella (ncbitaxon:679176) - PubMed (17190439)
ChEBI Ontology
Outgoing Relation(s)
Decaspirone B (CHEBI:207636) is a naphthalenes (CHEBI:25477)
IUPAC Name 
[(1'S,4'R,4'aS,8'S,8'aR)-4',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,5'-4,4a,8,8a-tetrahydro-1H-naphthalene]-1'-yl] acetate
Manual XrefsDatabases
17214281ChemSpider