EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168511 - Semilepidinoside A

ChEBI IDCHEBI:168511
ChEBI NameSemilepidinoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O6
Net Charge0
Average Mass336.344
Monoisotopic Mass336.13214
SMILESOC[C@H]1O[C@@H](Oc2ccc(Cc3nccn3)cc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18)/t11-,13+,14+,15-,16-/m1/s1
InChIKeyPVXWBKJKWJZGQJ-DZQJYWQESA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Semilepidinoside A (CHEBI:168511) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)phenoxy]oxane-3,4,5-triol