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CHEBI:215499 - Chrestoxanthone B

ChEBI IDCHEBI:215499
ChEBI NameChrestoxanthone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H21NO9
Net Charge0
Average Mass491.452
Monoisotopic Mass491.12163
SMILESCc1cc2cc3c(c(O)c2c(=O)n1)-c1c2c(c4oc5c(c(=O)c4c1O)[C@@H](O)CC[C@H]5O)OCO[C@@H]2C3
InChIInChI=1S/C26H21NO9/c1-8-4-9-5-10-6-13-17-18(14(10)20(30)15(9)26(33)27-8)22(32)19-21(31)16-11(28)2-3-12(29)23(16)36-25(19)24(17)35-7-34-13/h4-5,11-13,28-30,32H,2-3,6-7H2,1H3,(H,27,33)/t11-,12+,13+/m0/s1
InChIKeyZAFCJCOJXXHALN-YNEHKIRRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2015.12.045)
ChEBI Ontology
Outgoing Relation(s)
Chrestoxanthone B (CHEBI:215499) is a xanthones (CHEBI:51149)
IUPAC Name 
(13R,21R,24S)-3,21,24,28-tetrahydroxy-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
78438083ChemSpider