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CHEBI:208848 - Thiopleurotinic acid A

ChEBI IDCHEBI:208848
ChEBI NameThiopleurotinic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O8S
Net Charge0
Average Mass476.547
Monoisotopic Mass476.15049
SMILESC[C@@H]1CO[C@@H]2C3=C(C[C@H]4[C@H](C(=O)O)CC[C@H]5[C@@H]1CC[C@@]254)C(=O)C(SC[C@H](O)C(=O)O)=CC3=O
InChIInChI=1S/C24H28O8S/c1-10-8-32-21-19-13(20(27)18(7-16(19)25)33-9-17(26)23(30)31)6-15-12(22(28)29)2-3-14-11(10)4-5-24(14,15)21/h7,10-12,14-15,17,21,26H,2-6,8-9H2,1H3,(H,28,29)(H,30,31)/t10-,11-,12-,14+,15+,17+,21-,24-/m1/s1
InChIKeyZYWRLWVXTBIPBQ-KMDSAUACSA-N
Species of MetaboliteComponentSourceComments
Hohenbuehelia grisea (ncbitaxon:104357) - PubMed (29356520)
ChEBI Ontology
Outgoing Relation(s)
Thiopleurotinic acid A (CHEBI:208848) is a anthracenes (CHEBI:46955)
IUPAC Name 
(1R,2S,5R,6S,14S,17S,18S)-10-[(2R)-2-carboxy-2-hydroxyethyl]sulanyl-17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.01,6.02,18.08,13]icosa-8(13),10-diene-5-carboxylic acid
Manual XrefsDatabases
78439038ChemSpider