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CHEBI:216764 - Lepiotaprocerin C

Default Structure
ChEBI IDCHEBI:216764
ChEBI NameLepiotaprocerin C
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=C6[C@@H](C[C@]34C)OC3=CC(=O)C(C)(C)[C@H](CC5)[C@]36C)O2)OC1=O
InChIInChI=1S/C30H38O5/c1-15-11-30(12-16(2)25(32)35-30)34-19-14-27(5)17-8-9-20-26(3,4)21(31)10-22-29(20,7)24(17)18(33-22)13-28(27,6)23(15)19/h10,12,15,18-20,23H,8-9,11,13-14H2,1-7H3/t15-,18-,19+,20+,23+,27+,28-,29-,30-/m1/s1
InChIKeyWLZQKXJQTOONOM-YKDJOFNISA-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 C (CHEBI:216764) is a withanolide (CHEBI:74716)
IUPAC Name 
(1R,3R,4R,5R,7R,9S,11R,15R,20S)-3,3',5,11,16,16,20-heptamethylspiro[8,22-dioxahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-12(21),18-diene-7,5'-uran]-2',17-dione