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CHEBI:219601 - Spliceostatin B

ChEBI IDCHEBI:219601
ChEBI NameSpliceostatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO7
Net Charge0
Average Mass503.636
Monoisotopic Mass503.28830
SMILESC=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(C)=O)C[C@@H]2C)C1
InChIInChI=1S/C28H41NO7/c1-17(7-10-23-13-18(2)14-24(36-23)16-28(32)33)8-11-26-19(3)15-25(21(5)35-26)29-27(31)12-9-20(4)34-22(6)30/h7-10,12,19-21,23-26H,2,11,13-16H2,1,3-6H3,(H,29,31)(H,32,33)/b10-7+,12-9-,17-8+/t19-,20-,21+,23+,24-,25+,26-/m0/s1
InChIKeyLJUNMKJIHDBQKE-UKFUWTCXSA-N
Species of MetaboliteComponentSourceComments
Burkholderiaspecies FERM BP-3421 (ncbitaxon:1494466) - PubMed (25098528)
ChEBI Ontology
Outgoing Relation(s)
Spliceostatin B (CHEBI:219601) is a fatty amide (CHEBI:29348)
IUPAC Name 
2-[(2S,6S)-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-methylideneoxan-2-yl]acetic acid
Manual XrefsDatabases
58112408ChemSpider