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CHEBI:227227 - 16-O-desmethylasporyergosteron-beta-D-mannoside

ChEBI IDCHEBI:227227
ChEBI Name16-O-desmethylasporyergosteron-beta-D-mannoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O7
Net Charge0
Average Mass568.751
Monoisotopic Mass568.34000
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=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C34H48O7/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/h7-10,15,18-19,24,26-27,29-32,35,37-39H,11-14,16-17H2,1-6H3/b8-7+,28-20-/t19?,24-,26+,27+,29+,30-,31-,32+,33-,34-/m0/s1
InChIKeyGOVMOPHKWVWCCS-FEIBNWLNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26440473)
ChEBI Ontology
Outgoing Relation(s)
16-O-desmethylasporyergosteron-beta-D-mannoside (CHEBI:227227) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,13S,16R,17E)-17-[(E)-5,6-dimethylhept-3-en-2-ylidene]-10,13-dimethyl-16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
44210981ChemSpider