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CHEBI:225306 - (20R)-7,8-dihydroxypaxisterol

ChEBI IDCHEBI:225306
ChEBI Name(20R)-7,8-dihydroxypaxisterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILESC=C(CC[C@@]1(C)O[C@@H]2O[C@@H]3C[C@H]1[C@]21CC[C@@H]2[C@@]4(C)CC[C@H](O)C[C@@H]4C[C@H](O)[C@@]2(O)[C@H]31)C(C)C
InChIInChI=1S/C28H44O5/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(32-19)33-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22(30)28(20,23)31/h15,17-24,29-31H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26-,27+,28-/m1/s1
InChIKeyXJLWIBHADPJVNO-VUQCVYJRSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiacobrunneum (ncbitaxon:1131577) - PubMed (31465222)
ChEBI Ontology
Outgoing Relation(s)
(20R)-7,8-dihydroxypaxisterol (CHEBI:225306) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2S,5R,6S,9S,11R,13S,14S,15S,16R,18S,20R)-6,20-dimethyl-20-(4-methyl-3-methylidenepentyl)-17,19-dioxahexacyclo[14.4.1.02,15.02,18.05,14.06,11]henicosane-9,13,14-triol