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CHEBI:215667 - 16,17-didehydro-8-desmethoxy-isomigrastatin

ChEBI IDCHEBI:215667
ChEBI Name16,17-didehydro-8-desmethoxy-isomigrastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO7
Net Charge0
Average Mass473.566
Monoisotopic Mass473.24135
SMILESC/C(=C\[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C
InChIInChI=1S/C26H35NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-8,10-13,16,18-19,21,25-26,29,33H,4-5,9,14-15H2,1-3H3,(H,27,30,31)/b10-6+,11-8+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1
InChIKeyLJTHAHHHNCRWHP-MCQYAUJPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (16117518)
ChEBI Ontology
Outgoing Relation(s)
16,17-didehydro-8-desmethoxy-isomigrastatin (CHEBI:215667) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[(2E,5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxoocta-2,6-dienyl]piperidine-2,6-dione
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78437543ChemSpider