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CHEBI:200382 - Plicatilisin A

ChEBI IDCHEBI:200382
ChEBI NamePlicatilisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCC(C)[C@H]1[C@@H](O)[C@@H](O)C2=C3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C
InChIInChI=1S/C20H28O5/c1-9(2)12-15(22)16(23)14-17-13-11(18(24)25-17)10(21)5-6-19(13,3)7-8-20(12,14)4/h9-10,12,15-16,21-23H,5-8H2,1-4H3/t10-,12-,15+,16-,19-,20+/m0/s1
InChIKeySCJWRCCFAICMEA-MDPCNXPSSA-N
Species of MetaboliteComponentSourceComments
Parasola plicatilis (ncbitaxon:76939) - PubMed (22749279)
ChEBI Ontology
Outgoing Relation(s)
Plicatilisin A (CHEBI:200382) is a butenolide (CHEBI:50523)
IUPAC Name 
(3S,4R,5R,6R,9R,12S)-3,4,12-trihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-14-one
Manual XrefsDatabases
28520843ChemSpider