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CHEBI:220011 - Diaphorin

ChEBI IDCHEBI:220011
ChEBI NameDiaphorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39NO9
Net Charge0
Average Mass461.552
Monoisotopic Mass461.26248
SMILESC=C1C[C@](OC)([C@@H](O)C(=O)N[C@@H](O)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)CO)O2)O[C@H](C)[C@@H]1C
InChIInChI=1S/C22H39NO9/c1-11-9-22(30-6,32-13(3)12(11)2)18(27)20(29)23-19(28)15-8-16(26)21(4,5)17(31-15)7-14(25)10-24/h12-19,24-28H,1,7-10H2,2-6H3,(H,23,29)/t12-,13-,14+,15+,16-,17-,18+,19+,22-/m1/s1
InChIKeyVAHWJODAAILOLJ-NNSRPOQJSA-N
ChEBI Ontology
Outgoing Relation(s)
Diaphorin (CHEBI:220011) is a ketal (CHEBI:59777)
IUPAC Name 
(2R)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dihydroxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-hydroxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide