EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198706 - Naphthospironone A

ChEBI IDCHEBI:198706
ChEBI NameNaphthospironone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O9
Net Charge0
Average Mass402.355
Monoisotopic Mass402.09508
SMILESC[C@@H]1C[C@@]2(O)[C@@H](C(=O)O1)C1(O)c3cccc(O)c3C(=O)C2(O)C12CC=CC(=O)O2
InChIInChI=1S/C20H18O9/c1-9-8-17(25)14(16(24)28-9)19(26)10-4-2-5-11(21)13(10)15(23)20(17,27)18(19)7-3-6-12(22)29-18/h2-6,9,14,21,25-27H,7-8H2,1H3/t9-,14-,17-,18?,19?,20?/m1/s1
InChIKeyPQUKYDYXHLWNDA-KQDVHBSHSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (20209526)
ChEBI Ontology
Outgoing Relation(s)
Naphthospironone A (CHEBI:198706) is a tetralins (CHEBI:36786)
IUPAC Name 
(10R,12R,15R)-1,6,9,10-tetrahydroxy-12-methylspiro[13-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5-triene-16,2'-3H-pyran]-6',8,14-trione
Manual XrefsDatabases
78445576ChemSpider