EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189471 - Pseudolaric acid B

ChEBI IDCHEBI:189471
ChEBI NamePseudolaric acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O8
Net Charge0
Average Mass432.469
Monoisotopic Mass432.17842
SMILES[H][C@@]12CC[C@@]3(CC=C(C(=O)OC)CC[C@@]31OC(C)=O)C(=O)O[C@]2(C)/C=C/C=C(\C)C(=O)O
InChIInChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1
InChIKeyVDGOFNMYZYBUDT-YCONPBHISA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Pseudolaric acid B (CHEBI:189471) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
Manual XrefsDatabases
24534088ChemSpider