EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207738 - (4R,5S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one

ChEBI IDCHEBI:207738
ChEBI Name(4R,5S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O13
Net Charge0
Average Mass520.443
Monoisotopic Mass520.12169
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](Oc2cc(O)c3c(=O)c4c(O)c5c(cc4oc3c2)O[C@H]2OC[C@@H](O)[C@@H]52)O[C@@H]1CO
InChIInChI=1S/C24H24O13/c1-32-22-13(5-25)37-24(21(31)20(22)30)34-7-2-8(26)14-10(3-7)35-12-4-11-16(19(29)17(12)18(14)28)15-9(27)6-33-23(15)36-11/h2-4,9,13,15,20-27,29-31H,5-6H2,1H3/t9-,13-,15+,20-,21-,22-,23-,24+/m1/s1
InChIKeyDPLIXSOMAJYDQN-YYABFPIUSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tet.2012.07.059)
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one (CHEBI:207738) is a xanthones (CHEBI:51149)
IUPAC Name 
(4R,5S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
Manual XrefsDatabases
78437895ChemSpider