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CHEBI:229937 - 25-hydroxy-atrotosterone A

ChEBI IDCHEBI:229937
ChEBI Name25-hydroxy-atrotosterone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O8
Net Charge0
Average Mass510.668
Monoisotopic Mass510.31927
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CC(C)C(C)(C)O)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])[C@H](O)C[C@]12C
InChIInChI=1S/C28H46O8/c1-14(24(2,3)34)9-22(33)27(6,35)21-7-8-28(36)16-11-17(29)15-10-18(30)19(31)12-25(15,4)23(16)20(32)13-26(21,28)5/h11,14-15,18-23,30-36H,7-10,12-13H2,1-6H3/t14?,15-,18+,19-,20+,21-,22+,23+,25-,26+,27+,28+/m0/s1
InChIKeyFSNRQNKYLJDXMZ-UPLPEXDLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
25-hydroxy-atrotosterone A (CHEBI:229937) is a steroid (CHEBI:35341)
IUPAC Name 
2β,3β,11α,14α,20R,22R,25-heptahydroxy-24-methyl-5β-cholest-7-en-6-one
Manual XrefsDatabases
LMST01031321LIPID MAPS