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CHEBI:213065 - 6-O-acetylmalyngamide 2

ChEBI IDCHEBI:213065
ChEBI Name6-O-acetylmalyngamide 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44ClNO7
Net Charge0
Average Mass530.102
Monoisotopic Mass529.28063
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@H]1C(=O)[C@@H](OC(C)=O)C[C@H](O)[C@@]1(C)O)OC
InChIInChI=1S/C27H44ClNO7/c1-5-6-7-8-10-13-21(35-4)14-11-9-12-15-24(32)29-18-20(17-28)25-26(33)22(36-19(2)30)16-23(31)27(25,3)34/h9,11,17,21-23,25,31,34H,5-8,10,12-16,18H2,1-4H3,(H,29,32)/b11-9+,20-17-/t21-,22-,23-,25-,27+/m0/s1
InChIKeyYOGYBVYVKDQUPM-SPVVEVPUSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (29186048)
ChEBI Ontology
Outgoing Relation(s)
6-O-acetylmalyngamide 2 (CHEBI:213065) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1S,3R,4S,5S)-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-4,5-dihydroxy-4-methyl-2-oxocyclohexyl] acetate
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63002543ChemSpider