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CHEBI:191986 - (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol

ChEBI IDCHEBI:191986
ChEBI Name(2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@]1([C@H](C)/C=C/[C@H](C)C(C)C)CCC2C3=CCC4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C
InChIInChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22?,24-,25-,26+,27-,28+/m0/s1
InChIKeyRVWGLBNUTMYAOL-LJJGXUKZSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol (CHEBI:191986) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,3S,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
Manual XrefsDatabases
HMDB0037914HMDB
59693836ChemSpider