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CHEBI:168360 - (S)-Bitalin A 12-glucoside

Default Structure
ChEBI IDCHEBI:168360
ChEBI Name(S)-Bitalin A 12-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESC=C(COC1OC(CO)C(O)C(O)C1O)C1Cc2cc(C(C)=O)ccc2O1
InChIInChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3
InChIKeyTTWVIHLNMJFBMC-UHFFFAOYSA-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)
(S)-Bitalin A 12-glucoside (CHEBI:168360) is a glycoside (CHEBI:24400)
IUPAC Name 
1-[2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzouran-5-yl]ethanone
Manual XrefsDatabases
HMDB0038328HMDB