EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198059 - Malfilamentoside B

ChEBI IDCHEBI:198059
ChEBI NameMalfilamentoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO9
Net Charge0
Average Mass499.516
Monoisotopic Mass499.18423
SMILESCOC[C@H]1OC(OC2OC(=O)C(c3ccccc3)=C2C(O)c2ccccc2)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H29NO9/c1-14(28)27-20-23(31)22(30)17(13-33-2)34-26(20)36-25-19(21(29)16-11-7-4-8-12-16)18(24(32)35-25)15-9-5-3-6-10-15/h3-12,17,20-23,25-26,29-31H,13H2,1-2H3,(H,27,28)/t17-,20-,21?,22-,23-,25?,26?/m1/s1
InChIKeyXSWBPBRQMHQPEU-QUHGRQGUSA-N
Species of MetaboliteComponentSourceComments
Malbranchea filamentosa (ncbitaxon:33181) - DOI (10.2520/myco.58.1)
ChEBI Ontology
Outgoing Relation(s)
Malfilamentoside B (CHEBI:198059) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-[[3-[hydroxy(phenyl)methyl]-5-oxo-4-phenyl-2H-uran-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide
Manual XrefsDatabases
78445572ChemSpider