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CHEBI:168553 - (R)-Isobyakangelicin 3'-glucoside

ChEBI IDCHEBI:168553
ChEBI Name(R)-Isobyakangelicin 3'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O12
Net Charge0
Average Mass496.465
Monoisotopic Mass496.15808
SMILESCOc1c2occc2c(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)c2ccc(=O)oc12
InChIInChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3
InChIKeyIDHOCZIKYQXYFE-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)
(R)-Isobyakangelicin 3'-glucoside (CHEBI:168553) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[2-hydroxy-3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-9-methoxyuro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0039026HMDB