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CHEBI:204050 - Chrestoxanthone A

ChEBI IDCHEBI:204050
ChEBI NameChrestoxanthone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H23NO9
Net Charge0
Average Mass505.479
Monoisotopic Mass505.13728
SMILESCO[C@@H]1CC[C@H](O)c2c1oc1c3c4c(c(O)c1c2=O)-c1c(cc2cc(C)nc(=O)c2c1O)C[C@H]4OCO3
InChIInChI=1S/C27H23NO9/c1-9-5-10-6-11-7-14-18-19(15(11)21(30)16(10)27(33)28-9)23(32)20-22(31)17-12(29)3-4-13(34-2)24(17)37-26(20)25(18)36-8-35-14/h5-6,12-14,29-30,32H,3-4,7-8H2,1-2H3,(H,28,33)/t12-,13+,14+/m0/s1
InChIKeyFUGWQVNDHPVPMW-BFHYXJOUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2015.12.045)
ChEBI Ontology
Outgoing Relation(s)
Chrestoxanthone A (CHEBI:204050) is a xanthones (CHEBI:51149)
IUPAC Name 
(13R,21R,24S)-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione
Manual XrefsDatabases
78437089ChemSpider