EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215727 - Xanthoquinodin A7

ChEBI IDCHEBI:215727
ChEBI NameXanthoquinodin A7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O11
Net Charge0
Average Mass574.538
Monoisotopic Mass574.14751
SMILESCOC(=O)[C@@]1([C@@H]2CCC(=O)O2)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/C31H26O11/c1-12-7-15-22(16(32)8-12)27(37)24-25(35)14-5-6-30(24,28(15)38)10-13-9-18-23(26(36)21(13)14)17(33)11-31(42-18,29(39)40-2)19-3-4-20(34)41-19/h5-9,14,19,28,32,36-38H,3-4,10-11H2,1-2H3/t14-,19-,28-,30-,31-/m0/s1
InChIKeyLRVOEWAKHKWLAP-FSKLHAJDSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A7 (CHEBI:215727) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1R,7S,13S,23S)-11,16,18,23-tetrahydroxy-20-methyl-9,14-dioxo-7-[(2S)-5-oxooxolan-2-yl]-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
78442184ChemSpider