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CHEBI:191420 - Isorubrofusarin 10-gentiobioside

ChEBI IDCHEBI:191420
ChEBI NameIsorubrofusarin 10-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O15
Net Charge0
Average Mass596.538
Monoisotopic Mass596.17412
SMILESCOc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)cc(O)c1c(=O)cc(C)oc12
InChIInChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3
InChIKeyCREWSFDYWMXJQL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Isorubrofusarin 10-gentiobioside (CHEBI:191420) is a benzochromenone (CHEBI:64986)
Isorubrofusarin 10-gentiobioside (CHEBI:191420) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-8-methoxy-2-methyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[h]chromen-4-one
Manual XrefsDatabases
D85144KEGG DRUG
HMDB0034609HMDB