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CHEBI:200254 - Sumalarin B

ChEBI IDCHEBI:200254
ChEBI NameSumalarin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O11S
Net Charge0
Average Mass540.587
Monoisotopic Mass540.16653
SMILESCC(=O)OCCOC(=O)[C@@H](CS[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1)OC(C)=O
InChIInChI=1S/C25H32O11S/c1-14-5-4-6-19(37-13-22(36-16(3)27)25(32)34-8-7-33-15(2)26)12-21(30)24-17(10-23(31)35-14)9-18(28)11-20(24)29/h9,11,14,19,22,28-29H,4-8,10,12-13H2,1-3H3/t14-,19-,22+/m0/s1
InChIKeyQDQXSVXGAZHQLE-OSGPJOMKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24195466)
ChEBI Ontology
Outgoing Relation(s)
Sumalarin B (CHEBI:200254) is a macrolide (CHEBI:25106)
IUPAC Name 
2-acetyloxyethyl (2S)-2-acetyloxy-3-[[(5S,9S)-13,15-dihydroxy-5-methyl-3,11-dioxo-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-9-yl]sulanyl]propanoate
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30771277ChemSpider