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CHEBI:215562 - Thailanstatin B

ChEBI IDCHEBI:215562
ChEBI NameThailanstatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42ClNO9
Net Charge0
Average Mass572.095
Monoisotopic Mass571.25481
SMILESCC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]2O)O[C@@H]1C
InChIInChI=1S/C28H42ClNO9/c1-16(7-10-24-27(35)28(36,15-29)14-21(39-24)13-26(33)34)6-9-23-17(2)12-22(19(4)38-23)30-25(32)11-8-18(3)37-20(5)31/h6-8,10-11,17-19,21-24,27,35-36H,9,12-15H2,1-5H3,(H,30,32)(H,33,34)/b10-7+,11-8-,16-6+/t17-,18-,19+,21+,22+,23-,24+,27+,28+/m0/s1
InChIKeyGAXKYFBEYVVCBB-FUDLAKRJSA-N
Species of MetaboliteComponentSourceComments
Burkholderiaspecies FERM BP-3421 (ncbitaxon:1494466) - PubMed (23517093)
ChEBI Ontology
Outgoing Relation(s)
Thailanstatin B (CHEBI:215562) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-[(2S,4S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-(chloromethyl)-4,5-dihydroxyoxan-2-yl]acetic acid
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