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CHEBI:210766 - Thailanstatin C

ChEBI IDCHEBI:210766
ChEBI NameThailanstatin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46ClNO9
Net Charge0
Average Mass600.149
Monoisotopic Mass599.28611
SMILESCC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)C[C@@H]1C
InChIInChI=1S/C30H46ClNO9/c1-17(2)29(37)39-20(5)9-12-26(33)32-23-13-19(4)24(40-21(23)6)10-7-18(3)8-11-25-28(36)30(38,16-31)15-22(41-25)14-27(34)35/h7-9,11-12,17,19-25,28,36,38H,10,13-16H2,1-6H3,(H,32,33)(H,34,35)/b11-8+,12-9-,18-7+/t19-,20-,21+,22+,23+,24-,25+,28+,30+/m0/s1
InChIKeyIUEAQIHFZAHMMU-WEDQMBCXSA-N
Species of MetaboliteComponentSourceComments
Burkholderia humptydooensis MSMB43 (ncbitaxon:441157) - PubMed (23517093)
ChEBI Ontology
Outgoing Relation(s)
Thailanstatin C (CHEBI:210766) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-[(2S,4S,5R,6R)-4-(chloromethyl)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z,4S)-4-(2-methylpropanoyloxy)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4,5-dihydroxyoxan-2-yl]acetic acid
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29418221ChemSpider