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CHEBI:225744 - Scopararane A

ChEBI IDCHEBI:225744
ChEBI NameScopararane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C[C@]1(C)C=C2C(=O)[C@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)CC1
InChIInChI=1S/C20H28O5/c1-5-16(4)9-10-18(22)13(11-16)14(21)19(23)20(24)15(2,3)7-6-8-17(18,20)12-25-19/h5,11,22-24H,1,6-10,12H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1
InChIKeyKPUJVADRTZEHMX-UHZRXMQZSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (16724861)
ChEBI Ontology
Outgoing Relation(s)
Scopararane A (CHEBI:225744) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2S,5R,9R,10R)-5-ethenyl-2,9,10-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-en-8-one
Manual XrefsDatabases
9863577ChemSpider