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CHEBI:227222 - 16-O-desmethylasporyergosterol-beta-D-mannoside

ChEBI IDCHEBI:227222
ChEBI Name16-O-desmethylasporyergosterol-beta-D-mannoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O7
Net Charge0
Average Mass572.783
Monoisotopic Mass572.37130
SMILESCC(/C=C/C(C)C(C)C)=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC2=C3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C34H52O7/c1-18(2)19(3)7-8-20(4)28-26(40-32-31(39)30(38)29(37)27(17-35)41-32)16-25-23-10-9-21-15-22(36)11-13-33(21,5)24(23)12-14-34(25,28)6/h7-10,18-19,21-22,24,26-27,29-32,35-39H,11-17H2,1-6H3/b8-7+,28-20-/t19?,21-,22-,24-,26+,27+,29+,30-,31-,32+,33-,34-/m0/s1
InChIKeySBPQVIDAOKLTIS-XHMKDNMKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26440473)
ChEBI Ontology
Outgoing Relation(s)
16-O-desmethylasporyergosterol-beta-D-mannoside (CHEBI:227222) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,3S,4S,5S,6R)-2-[[(3S,5R,9R,10S,13S,16R,17E)-17-[(E)-5,6-dimethylhept-3-en-2-ylidene]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
44210980ChemSpider