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CHEBI:178535 - (3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol

ChEBI IDCHEBI:178535
ChEBI Name(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC21C
InChIInChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+
InChIKeyNYMHFYDQBMRBMB-BQYQJAHWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol (CHEBI:178535) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Manual XrefsDatabases
HMDB0032123HMDB
20057479ChemSpider