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CHEBI:169130 - (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol

ChEBI IDCHEBI:169130
ChEBI Name(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O4
Net Charge0
Average Mass460.699
Monoisotopic Mass460.35526
SMILESC/C(=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC21C)C(C)C(C)C
InChIInChI=1S/C29H48O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,25,30-33H,8-13,16H2,1-7H3/b18-14+
InChIKeyOVIAMXWKHLHCOK-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,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol (CHEBI:169130) is a ergostanoid (CHEBI:50403)
IUPAC Name 
10,13-dimethyl-17-[(E)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Manual XrefsDatabases
HMDB0033634HMDB