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CHEBI:200943 - Anhydroexfoliamycin

ChEBI IDCHEBI:200943
ChEBI NameAnhydroexfoliamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@H]1OC(CO)[C@@H](O)[C@H]1O)=CC3=O
InChIInChI=1S/C22H24O8/c1-3-4-14-16-10(5-9(2)29-14)6-11-13(24)7-12(18(25)17(11)20(16)27)22-21(28)19(26)15(8-23)30-22/h5-7,14-15,19,21-23,26-28H,3-4,8H2,1-2H3/t14-,15?,19-,21-,22-/m1/s1
InChIKeySZBHSSGJBUMHOR-CGMMKJMPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces exfoliatus (ncbitaxon:1905) - PubMed (8468251)
ChEBI Ontology
Outgoing Relation(s)
Anhydroexfoliamycin (CHEBI:200943) is a benzochromenone (CHEBI:64986)
Anhydroexfoliamycin (CHEBI:200943) is a glycoside (CHEBI:24400)
IUPAC Name 
(1R)-8-[(2R,3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
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78436697ChemSpider