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CHEBI:229191 - Pentahydroxybufostane

ChEBI IDCHEBI:229191
ChEBI NamePentahydroxybufostane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O5
Net Charge0
Average Mass466.703
Monoisotopic Mass466.36582
SMILESCC(CCC(C)(O)C(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C28H50O5/c1-16(9-12-27(5,33)25(2,3)32)19-7-8-20-24-21(15-23(31)28(19,20)6)26(4)11-10-18(29)13-17(26)14-22(24)30/h16-24,29-33H,7-15H2,1-6H3
InChIKeyHDFRSFHKPZDWHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Pentahydroxybufostane (CHEBI:229191) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5,6-dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
4478542ChemSpider