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CHEBI:184109 - Taxinine m

ChEBI IDCHEBI:184109
ChEBI NameTaxinine m
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42O14
Net Charge0
Average Mass686.707
Monoisotopic Mass686.25746
SMILES[H][C@@]12CC(=O)[C@@]3(C)OCC1(C)[C@@]3(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(COC(=O)c3ccccc3)[C@@H](OC(C)=O)C[C@H](O)C(=C)[C@@]1([H])[C@@H]2OC(C)=O
InChIInChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3/t23-,24-,26-,27-,28+,29-,30-,32?,33+,34+,35-/m0/s1
InChIKeyYGDMNNDIKAOMNZ-PARYDCOLSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Taxinine m (CHEBI:184109) has functional parent hexacarboxylic acid (CHEBI:59359)
Taxinine m (CHEBI:184109) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2,8-dihydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
Manual XrefsDatabases
4885266ChemSpider