EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219684 - Naphthgeranine D

ChEBI IDCHEBI:219684
ChEBI NameNaphthgeranine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESCC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)C2C=C(CO)[C@@H](O)[C@H](O)[C@@H]21
InChIInChI=1S/C20H20O8/c1-20(2)14-9(3-7(6-21)15(24)18(14)27)13-16(25)10-4-8(22)5-11(23)12(10)17(26)19(13)28-20/h3-5,9,14-15,18,21-24,27H,6H2,1-2H3/t9?,14-,15-,18-/m1/s1
InChIKeyVXMGWBBELIEFKJ-OQNGNDRUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1938608)
ChEBI Ontology
Outgoing Relation(s)
Naphthgeranine D (CHEBI:219684) is a organic heterotricyclic compound (CHEBI:26979)
Naphthgeranine D (CHEBI:219684) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4R,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Manual XrefsDatabases
170530ChemSpider