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CHEBI:183537 - 25-acetoxy-ergosta-3beta,5alpha,6beta-triol

ChEBI IDCHEBI:183537
ChEBI Name25-acetoxy-ergosta-3beta,5alpha,6beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O5
Net Charge0
Average Mass492.741
Monoisotopic Mass492.38147
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](C)C(C)(C)OC(C)=O
InChIInChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1
InChIKeyNTYRSMDNACWFJE-GCYJJEFRSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
25-acetoxy-ergosta-3beta,5alpha,6beta-triol (CHEBI:183537) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
Manual XrefsDatabases
10403761ChemSpider
LMST01031059LIPID MAPS