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CHEBI:229935 - Daturmeteside A

ChEBI IDCHEBI:229935
ChEBI NameDaturmeteside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O6
Net Charge0
Average Mass478.670
Monoisotopic Mass478.32944
SMILESC=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@](C)(O)CO
InChIInChI=1S/C28H46O6/c1-15(27(4,34)14-29)10-22(31)16(2)19-6-7-20-25-21(8-9-26(19,20)3)28(5)17(12-23(25)32)11-18(30)13-24(28)33/h12,16,18-25,29-34H,1,6-11,13-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-/m0/s1
InChIKeyYKNITYKHRVWARB-BSAFZUPGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
Daturmeteside A (CHEBI:229935) is a steroid (CHEBI:35341)
IUPAC Name 
(1alpha,3beta,7alpha,22R,25S)-Ergosta-5,24(28)-diene-1,3,7,22,25,26-hexol
Manual XrefsDatabases
113385221ChemSpider