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CHEBI:168649 - (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol

ChEBI IDCHEBI:168649
ChEBI Name(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESC/C(=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC21C)C(C)C(C)C
InChIInChI=1S/C29H48O3/c1-17(2)20(5)18(3)14-19(4)23-8-9-24-22-15-26(31)29(32)16-21(30)10-13-28(29,7)25(22)11-12-27(23,24)6/h14-15,17,19-21,23-26,30-32H,8-13,16H2,1-7H3/b18-14+
InChIKeyCZRJCGNHTAJYEV-NBVRZTHBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol (CHEBI:168649) is a ergostanoid (CHEBI:50403)
IUPAC Name 
10,13-dimethyl-17-[(E)-4,5,6-trimethylhept-3-en-2-yl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
HMDB0033633HMDB