EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191439 - Rubrofusarin 6-gentiobioside

ChEBI IDCHEBI:191439
ChEBI NameRubrofusarin 6-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(O)c3c(=O)cc(C)oc3cc2c1
InChIInChI=1S/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3
InChIKeyJIBJMBHKGBDCPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Rubrofusarin 6-gentiobioside (CHEBI:191439) is a benzochromenone (CHEBI:64986)
Rubrofusarin 6-gentiobioside (CHEBI:191439) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-8-methoxy-2-methyl-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]chromen-4-one
Manual XrefsDatabases
HMDB0038478HMDB