CHEBI:169639 - Lucidenic acid D1

ChEBI IDCHEBI:169639
ChEBI NameLucidenic acid D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O7
Net Charge0
Average Mass470.562
Monoisotopic Mass470.23045
SMILESCC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
InChIInChI=1S/C27H34O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16H,7-12H2,1-6H3,(H,31,32)
InChIKeyLCFUTECDUKUAFQ-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)
Lucidenic acid D1 (CHEBI:169639) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4-(4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Manual XrefsDatabases
HMDB0038199HMDB