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CHEBI:210909 - 5alpha,6alpha-epoxy-(22E)-ergosta-8,14, 22-triene-3beta,7alpha-diol

ChEBI IDCHEBI:210909
ChEBI Name5alpha,6alpha-epoxy-(22E)-ergosta-8,14, 22-triene-3beta,7alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O
InChIInChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,24-,25-,26+,27+,28-/m0/s1
InChIKeyUSHMBEFGKMCIBD-AAXQUGDCSA-N
Species of MetaboliteComponentSourceComments
Lentinula edodes (ncbitaxon:5353) - PubMed (10823718)
ChEBI Ontology
Outgoing Relation(s)
5alpha,6alpha-epoxy-(22E)-ergosta-8,14, 22-triene-3beta,7alpha-diol (CHEBI:210909) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5S,7R,9S,10S,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1(11),12-diene-5,10-diol
Manual XrefsDatabases
8677965ChemSpider