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CHEBI:224619 - 8-O-acetyl 8-epi-malyngamide C

ChEBI IDCHEBI:224619
ChEBI Name8-O-acetyl 8-epi-malyngamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40ClNO6
Net Charge0
Average Mass498.060
Monoisotopic Mass497.25442
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](OC(C)=O)CCC2=O)OC
InChIInChI=1S/C26H40ClNO6/c1-4-5-6-7-9-12-21(32-3)13-10-8-11-14-24(31)28-18-20(17-27)26-23(30)16-15-22(25(26)34-26)33-19(2)29/h8,10,17,21-22,25H,4-7,9,11-16,18H2,1-3H3,(H,28,31)/b10-8+,20-17-/t21-,22+,25-,26+/m0/s1
InChIKeyUADSYHULFVDMCJ-HAXZSZBCSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (20701935)
ChEBI Ontology
Outgoing Relation(s)
8-O-acetyl 8-epi-malyngamide C (CHEBI:224619) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
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27025100ChemSpider