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CHEBI:187310 - Malyngamide J

ChEBI IDCHEBI:187310
ChEBI NameMalyngamide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53NO9
Net Charge0
Average Mass607.785
Monoisotopic Mass607.37203
SMILES[H][C@@]12O[C@]1(C(=C)CCNC(=O)CC/C=C/C[C@H](CCCCCCC)OC)C(=O)C(C)=C[C@H]2OC1OCC(OC)C(O)C1OC
InChIInChI=1S/C33H53NO9/c1-7-8-9-10-12-15-24(38-4)16-13-11-14-17-27(35)34-19-18-23(3)33-30(37)22(2)20-25(31(33)43-33)42-32-29(40-6)28(36)26(39-5)21-41-32/h11,13,20,24-26,28-29,31-32,36H,3,7-10,12,14-19,21H2,1-2,4-6H3,(H,34,35)/b13-11+/t24-,25+,26?,28?,29?,31-,32?,33+/m0/s1
InChIKeyUZMVEOVJASEKLP-BYPNWZLWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Malyngamide J (CHEBI:187310) is a glycoside (CHEBI:24400)
IUPAC Name 
(E,7S)-N-[3-[(1S,5R,6S)-5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-enamide
Manual XrefsDatabases
10476944ChemSpider