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CHEBI:218137 - Adametizine A

ChEBI IDCHEBI:218137
ChEBI NameAdametizine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23ClN2O8S2
Net Charge0
Average Mass531.008
Monoisotopic Mass530.05844
SMILESCOc1ccc([C@@H]2SS[C@@]34C[C@]5(O)[C@H](Cl)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(C)C4=O)c(O)c1OC
InChIInChI=1S/C21H23ClN2O8S2/c1-23-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-34-21(19(23)28)8-20(29)12(22)7-5-10(25)17(20)32-24(21)18(13)27/h4-7,10,12-13,16-17,25-26,29H,8H2,1-3H3/t10-,12-,13-,16+,17+,20+,21-/m1/s1
InChIKeyAWPMMJDFXQCEES-FEHKQZEWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26039736)
ChEBI Ontology
Outgoing Relation(s)
Adametizine A (CHEBI:218137) is a methoxybenzenes (CHEBI:51683)
Adametizine A (CHEBI:218137) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,3R,4R,7R,8S,12S,13S)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione
Manual XrefsDatabases
59006636ChemSpider