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CHEBI:213058 - 6,8-di-O-acetylmalyngamide 2

ChEBI IDCHEBI:213058
ChEBI Name6,8-di-O-acetylmalyngamide 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46ClNO8
Net Charge0
Average Mass572.139
Monoisotopic Mass571.29120
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@H]1C(=O)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)O)OC
InChIInChI=1S/C29H46ClNO8/c1-6-7-8-9-11-14-23(37-5)15-12-10-13-16-26(34)31-19-22(18-30)27-28(35)24(38-20(2)32)17-25(29(27,4)36)39-21(3)33/h10,12,18,23-25,27,36H,6-9,11,13-17,19H2,1-5H3,(H,31,34)/b12-10+,22-18-/t23-,24-,25-,27-,29+/m0/s1
InChIKeyVCYLDGFZBOWHOI-XZALHDRTSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (29186048)
ChEBI Ontology
Outgoing Relation(s)
6,8-di-O-acetylmalyngamide 2 (CHEBI:213058) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1S,3R,4S,5S)-5-acetyloxy-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-4-hydroxy-4-methyl-2-oxocyclohexyl] acetate
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63002542ChemSpider