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CHEBI:191543 - Marmesin rutinoside

ChEBI IDCHEBI:191543
ChEBI NameMarmesin rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O13
Net Charge0
Average Mass554.545
Monoisotopic Mass554.19994
SMILESCC1OC(OCC2OC(OC(C)(C)C3Cc4cc5ccc(=O)oc5cc4O3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3
InChIKeyYRSYZKMFCFPXRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Marmesin rutinoside (CHEBI:191543) is a psoralens (CHEBI:26369)
IUPAC Name 
2-[2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0041413HMDB