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CHEBI:216789 - Lepiotaprocerin G

Default Structure
ChEBI IDCHEBI:216789
ChEBI NameLepiotaprocerin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O5
Net Charge0
Average Mass478.629
Monoisotopic Mass478.27192
SMILESCC1=C[C@@]2(C[C@@H](C)[C@H]3[C@H](C[C@@]4(C)C5=C(C(=O)C[C@]34C)[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O
InChIInChI=1S/C30H38O5/c1-16-12-30(13-17(2)25(33)35-30)34-20-15-28(6)18-8-9-21-26(3,4)22(32)10-11-27(21,5)24(18)19(31)14-29(28,7)23(16)20/h10-11,13,16,20-21,23H,8-9,12,14-15H2,1-7H3/t16-,20+,21+,23+,27+,28+,29-,30-/m1/s1
InChIKeyLHCUTNFOYPPTFQ-ZIGGBWKSSA-N
Species of MetaboliteComponentSourceComments
Macrolepiota procera (ncbitaxon:56183) - PubMed (29510036)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Lepiotaprocerin G (CHEBI:216789) is a withanolide (CHEBI:74716)
IUPAC Name 
(2R,4S,6R,8R,9R,10R,14S,19R)-2,3',8,10,14,18,18-heptamethylspiro[5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),15-diene-6,5'-uran]-2',12,17-trione