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CHEBI:191533 - Phyllanthusol B

ChEBI IDCHEBI:191533
ChEBI NamePhyllanthusol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49NO18
Net Charge0
Average Mass771.766
Monoisotopic Mass771.29496
SMILESCC(=O)NC1C(OC2C(OC(=O)C3CC(O)C4(O)C(C3)OC3(CC(OC(=O)c5ccccc5)C(C)CO3)C4O)CC(O)C(O)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C35H49NO18/c1-14-13-49-34(11-20(14)51-30(45)16-6-4-3-5-7-16)33(47)35(48)22(40)8-17(9-23(35)54-34)31(46)50-19-10-18(39)25(41)28(44)29(19)53-32-24(36-15(2)38)27(43)26(42)21(12-37)52-32/h3-7,14,17-29,32-33,37,39-44,47-48H,8-13H2,1-2H3,(H,36,38)
InChIKeyOFMUQXHBRUAVAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Phyllanthusol B (CHEBI:191533) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxycyclohexyl] 4'-benzoyloxy-3,3a,4-trihydroxy-5'-methylspiro[3,4,5,6,7,7a-hexahydro-1-benzouran-2,2'-oxane]-6-carboxylate
Manual XrefsDatabases
35014047ChemSpider
HMDB0035904HMDB