EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215732 - Xanthoquinodin A8

ChEBI IDCHEBI:215732
ChEBI NameXanthoquinodin A8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O12
Net Charge0
Average Mass606.580
Monoisotopic Mass606.17373
SMILESCOC(=O)CC[C@H](O)[C@]1(C(=O)OC)CC(=O)c2c(cc3c(c2O)[C@@H]2C=C[C@]4(C3)C(=C(O)c3c(O)cc(C)cc3[C@@H]4O)C2=O)O1
InChIInChI=1S/C32H30O12/c1-13-8-16-23(17(33)9-13)28(39)25-26(37)15-6-7-31(25,29(16)40)11-14-10-19-24(27(38)22(14)15)18(34)12-32(44-19,30(41)43-3)20(35)4-5-21(36)42-2/h6-10,15,20,29,33,35,38-40H,4-5,11-12H2,1-3H3/t15-,20-,29-,31-,32-/m0/s1
InChIKeyVVEOFCJJMHMGLW-SJTQCFBNSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A8 (CHEBI:215732) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1R,7S,13S,23S)-11,16,18,23-tetrahydroxy-7-[(1S)-1-hydroxy-4-methoxy-4-oxobutyl]-20-methyl-9,14-dioxo-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate
Manual XrefsDatabases
78442185ChemSpider