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CHEBI:169633 - 22-Acetylpriverogenin B

Default Structure
ChEBI IDCHEBI:169633
ChEBI Name22-Acetylpriverogenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O5
Net Charge0
Average Mass516.763
Monoisotopic Mass516.38147
SMILESCC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O
InChIInChI=1S/C32H52O5/c1-19(33)37-25-17-26(2,3)15-22-31(25)18-36-32(22)14-10-21-28(6)12-11-23(34)27(4,5)20(28)9-13-29(21,7)30(32,8)16-24(31)35/h20-25,34-35H,9-18H2,1-8H3
InChIKeyASSAYFMXRNLTCY-UHFFFAOYSA-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)
22-Acetylpriverogenin B (CHEBI:169633) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2,10-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-22-yl) acetate
Manual XrefsDatabases
35013756ChemSpider
HMDB0034645HMDB