EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198923 - Versixanthone F

ChEBI IDCHEBI:198923
ChEBI NameVersixanthone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34O15
Net Charge0
Average Mass670.620
Monoisotopic Mass670.18977
SMILESCOC(=O)C[C@H](C)[C@@H](O)[C@]1(C(=O)OC)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(O)=C3C(=O)C[C@H](C)[C@@H](O)[C@]3(C(=O)OC)O4)c2O)O1
InChIInChI=1S/C33H34O15/c1-13-10-17(34)24-27(39)23-20(48-33(24,29(13)41)31(43)46-5)9-7-16(26(23)38)15-6-8-19-22(25(15)37)18(35)12-32(47-19,30(42)45-4)28(40)14(2)11-21(36)44-3/h6-9,13-14,28-29,37-41H,10-12H2,1-5H3/t13-,14-,28+,29+,32-,33+/m0/s1
InChIKeySQSNPCJTBKSTEC-ZSIZJZIHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26506221)
ChEBI Ontology
Outgoing Relation(s)
Versixanthone F (CHEBI:198923) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3S,4R,4aR)-4,8,9-trihydroxy-7-[(2S)-5-hydroxy-2-[(1R,2S)-1-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-2-methoxycarbonyl-4-oxo-3H-chromen-6-yl]-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
78436425ChemSpider