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CHEBI:226823 - Spliceostatin I

ChEBI IDCHEBI:226823
ChEBI NameSpliceostatin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H47NO9
Net Charge0
Average Mass565.704
Monoisotopic Mass565.32508
SMILESCCOC[C@]1(O)C[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/C30H47NO9/c1-7-37-18-30(36)16-24(40-25(17-30)15-29(34)35)11-8-19(2)9-12-27-20(3)14-26(22(5)39-27)31-28(33)13-10-21(4)38-23(6)32/h8-11,13,20-22,24-27,36H,7,12,14-18H2,1-6H3,(H,31,33)(H,34,35)/b11-8+,13-10-,19-9+/t20-,21-,22+,24+,25+,26+,27-,30+/m0/s1
InChIKeyNKLPZQAWQLQCMZ-ZTWZSWBNSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (29666478)
ChEBI Ontology
Outgoing Relation(s)
Spliceostatin I (CHEBI:226823) is a oxanes (CHEBI:46942)
IUPAC Name 
2-[(2S,4S,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-(ethoxymethyl)-4-hydroxyoxan-2-yl]acetic acid
Manual XrefsDatabases
78438850ChemSpider