EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219678 - Naphthgeranine C

ChEBI IDCHEBI:219678
ChEBI NameNaphthgeranine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@@H](O)C[C@@H]21
InChIInChI=1S/C20H20O7/c1-20(2)12-6-13(23)8(7-21)3-10(12)16-17(25)11-4-9(22)5-14(24)15(11)18(26)19(16)27-20/h3-5,10,12-13,21-24H,6-7H2,1-2H3/t10-,12+,13+/m1/s1
InChIKeySAUXNHFIRMCZCG-WXHSDQCUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1938608)
ChEBI Ontology
Outgoing Relation(s)
Naphthgeranine C (CHEBI:219678) is a organic heterotricyclic compound (CHEBI:26979)
Naphthgeranine C (CHEBI:219678) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,4aS,12bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Manual XrefsDatabases
116630ChemSpider