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CHEBI:199807 - 17-hydroxy-isomigrastatin

ChEBI IDCHEBI:199807
ChEBI Name17-hydroxy-isomigrastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO8
Net Charge0
Average Mass505.608
Monoisotopic Mass505.26757
SMILESCO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O
InChIInChI=1S/C27H39NO8/c1-16(21(30)15-20(29)12-19-13-23(31)28-24(32)14-19)11-17(2)27-18(3)26(34)22(35-4)9-7-5-6-8-10-25(33)36-27/h7-11,16,18-20,22,26-27,29,34H,5-6,12-15H2,1-4H3,(H,28,31,32)/b9-7+,10-8+,17-11+/t16-,18-,20+,22-,26-,27-/m0/s1
InChIKeyDKAJJLPTJBSTIK-YVAFPULPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (16117518)
ChEBI Ontology
Outgoing Relation(s)
17-hydroxy-isomigrastatin (CHEBI:199807) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[(E,2R,5S)-2-hydroxy-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
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9715457ChemSpider