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CHEBI:226009 - Rubrofusarin-6-O-beta-(4-O-methylglucopyranoside)

ChEBI IDCHEBI:226009
ChEBI NameRubrofusarin-6-O-beta-(4-O-methylglucopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O10
Net Charge0
Average Mass448.424
Monoisotopic Mass448.13695
SMILESCOc1cc(O[C@@H]2OC(CO)[C@H](OC)[C@H](O)[C@@H]2O)c2c(O)c3c(=O)cc(C)oc3cc2c1
InChIInChI=1S/C22H24O10/c1-9-4-12(24)17-13(30-9)6-10-5-11(28-2)7-14(16(10)18(17)25)31-22-20(27)19(26)21(29-3)15(8-23)32-22/h4-7,15,19-23,25-27H,8H2,1-3H3/t15?,19-,20+,21+,22-/m1/s1
InChIKeyYLWIMOSLRAJWRO-YRDZETTNSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - PubMed (17917241)
ChEBI Ontology
Outgoing Relation(s)
Rubrofusarin-6-O-beta-(4-O-methylglucopyranoside) (CHEBI:226009) is a benzochromenone (CHEBI:64986)
Rubrofusarin-6-O-beta-(4-O-methylglucopyranoside) (CHEBI:226009) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,3S,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one