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CHEBI:206005 - 13-deoxytetrodecamycin

ChEBI IDCHEBI:206005
ChEBI Name13-deoxytetrodecamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESC=C1OC(=O)C2=C1O[C@@H]1[C@@H](O)[C@@H]3CCCC[C@H]3[C@](C)(C2=O)[C@@H]1C
InChIInChI=1S/C18H22O5/c1-8-14-13(19)10-6-4-5-7-11(10)18(8,3)16(20)12-15(23-14)9(2)22-17(12)21/h8,10-11,13-14,19H,2,4-7H2,1,3H3/t8-,10-,11-,13+,14+,18-/m1/s1
InChIKeySJSWTFWTXIPTLS-REEPCMNESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26014719)
ChEBI Ontology
Outgoing Relation(s)
13-deoxytetrodecamycin (CHEBI:206005) is a butenolide (CHEBI:50523)
IUPAC Name 
(1S,2R,7R,8S,9S,17S)-8-hydroxy-1,17-dimethyl-12-methylidene-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadec-11(15)-ene-14,16-dione
Manual XrefsDatabases
78440449ChemSpider