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CHEBI:216758 - Lepiotaprocerin B

Default Structure
ChEBI IDCHEBI:216758
ChEBI NameLepiotaprocerin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O6
Net Charge0
Average Mass538.725
Monoisotopic Mass538.32944
SMILESCOC(=O)/C(C)=C\CC[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)C3=C4[C@@H](C[C@]12C)OC1=CC(=O)C(C)(C)[C@H](CC3)[C@]14C
InChIInChI=1S/C33H46O6/c1-18(11-10-12-19(2)29(36)37-9)27-22(38-20(3)34)16-31(6)21-13-14-24-30(4,5)25(35)15-26-33(24,8)28(21)23(39-26)17-32(27,31)7/h12,15,18,22-24,27H,10-11,13-14,16-17H2,1-9H3/b19-12-/t18-,22+,23-,24+,27+,31+,32-,33-/m1/s1
InChIKeyYVYRIGJMVOARJL-GCGFQLDISA-N
Species of MetaboliteComponentSourceComments
Macrolepiota procera (ncbitaxon:56183) - PubMed (29510036)
ChEBI Ontology
Outgoing Relation(s)
Lepiotaprocerin B (CHEBI:216758) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (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-enoate