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CHEBI:216752 - Lepiotaprocerin A

Default Structure
ChEBI IDCHEBI:216752
ChEBI NameLepiotaprocerin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O6
Net Charge0
Average Mass524.698
Monoisotopic Mass524.31379
SMILESCC(=O)O[C@H]1C[C@@]2(C)C3=C4[C@@H](C[C@]2(C)[C@H]1[C@H](C)CC/C=C(/C)C(=O)O)OC1=CC(=O)C(C)(C)[C@H](CC3)[C@]14C
InChIInChI=1S/C32H44O6/c1-17(10-9-11-18(2)28(35)36)26-21(37-19(3)33)15-30(6)20-12-13-23-29(4,5)24(34)14-25-32(23,8)27(20)22(38-25)16-31(26,30)7/h11,14,17,21-23,26H,9-10,12-13,15-16H2,1-8H3,(H,35,36)/b18-11-/t17-,21+,22-,23+,26+,30+,31-,32-/m1/s1
InChIKeyRQMCCRUYISGPCT-UCLGMEIXSA-N
Species of MetaboliteComponentSourceComments
Macrolepiota procera (ncbitaxon:56183) - PubMed (29510036)
ChEBI Ontology
Outgoing Relation(s)
Lepiotaprocerin A (CHEBI:216752) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-6-[(1R,3R,4R,5S,7R,11R,16S)-5-acetyloxy-3,7,12,12,16-pentamethyl-13-oxo-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadeca-8(17),14-dien-4-yl]-2-methylhept-2-enoic acid