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CHEBI:219554 - WS009 A

ChEBI IDCHEBI:219554
ChEBI NameWS009 A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25NO10S
Net Charge0
Average Mass519.528
Monoisotopic Mass519.11992
SMILESCC(=O)N[C@@H](CSC12CCC3(O)CC(C)=CC(=O)C3(O)C1(O)C(=O)c1cccc(O)c1C2=O)C(=O)O
InChIInChI=1S/C24H25NO10S/c1-11-8-16(28)23(34)21(33,9-11)6-7-22(36-10-14(20(31)32)25-12(2)26)19(30)17-13(4-3-5-15(17)27)18(29)24(22,23)35/h3-5,8,14,27,33-35H,6-7,9-10H2,1-2H3,(H,25,26)(H,31,32)/t14-,21?,22?,23?,24?/m0/s1
InChIKeyQJBRZZUZDREZIP-KCBNJNFFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1325433)
ChEBI Ontology
Outgoing Relation(s)
WS009 A (CHEBI:219554) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulanyl]-2-acetamidopropanoic acid
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116564ChemSpider