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CHEBI:182759 - Scillabiose

ChEBI IDCHEBI:182759
ChEBI NameScillabiose
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O10
Net Charge0
Average Mass326.298
Monoisotopic Mass326.12130
SMILESC[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C12H22O10/c1-4(15)11(7(17)5(16)2-13)22-12-10(20)9(19)8(18)6(3-14)21-12/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9-,10+,11-,12-/m0/s1
InChIKeyXAVVYCXXDSHXNS-ULUQPUQLSA-N
ChEBI Ontology
Outgoing Relation(s)
Scillabiose (CHEBI:182759) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3S,4S,5S)-2,3,5-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Manual XrefsDatabases
C19635KEGG COMPOUND
16739567ChemSpider
Registry NumbersSources
CAS:40525-07-3ChemIDplus