EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222326 - Acremoxanthone E

ChEBI IDCHEBI:222326
ChEBI NameAcremoxanthone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
SMILESCOC(=O)[C@@]12Oc3c(c(O)cc4c3[C@@H]3C=C[C@]5(C4)C(=C(O)c4c(O)cc(C)cc4[C@@H]5O)C3=O)C(O)=C1C(=O)C=C[C@H]2O
InChIInChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)25(37)23-24(36)13-5-6-30(23,28(14)39)10-12-9-17(34)21-26(38)22-15(32)3-4-18(35)31(22,29(40)41-2)42-27(21)19(12)13/h3-9,13,18,28,33-35,37-39H,10H2,1-2H3/t13-,18+,28-,30-,31-/m0/s1
InChIKeyRIDJYFACWLGIAH-GXVSCJGJSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (25641841)
ChEBI Ontology
Outgoing Relation(s)
Acremoxanthone E (CHEBI:222326) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,12R,13R,17S,27S)-5,7,12,20,22,27-hexahydroxy-24-methyl-9,18-dioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,7,10,15,19,21(26),22,24,28-decaene-13-carboxylate
Manual XrefsDatabases
78442666ChemSpider