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CHEBI:230936 - Hypromellosum

Default Structure
ChEBI IDCHEBI:230936
ChEBI NameHypromellosum
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H60O19
Net Charge0
Average Mass748.813
Monoisotopic Mass748.37288
SMILESCOCC1OC(OC2C(COCC(C)O)OC(OC)C(OCC(C)O)C2OCC(C)O)C(OC)C(OC)C1OC1OC(CO)C(OC)C(O)C1O
InChIInChI=1S/C32H60O19/c1-15(34)10-44-14-20-25(27(45-11-16(2)35)29(31(43-8)48-20)46-12-17(3)36)51-32-28(42-7)26(41-6)24(19(49-32)13-39-4)50-30-22(38)21(37)23(40-5)18(9-33)47-30/h15-38H,9-14H2,1-8H3
InChIKeyVUKAUDKDFVSVFT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Hypromellosum (CHEBI:230936) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Manual XrefsDatabases
21242880ChemSpider
HMDB0256007HMDB