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CHEBI:199621 - Scopararane B

ChEBI IDCHEBI:199621
ChEBI NameScopararane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@]1(C)C[C@@H](O)C2=C(C(=O)[C@@]3(O)OC[C@]24CCCC(C)(C)[C@]43O)[C@@H]1O
InChIInChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14+,17-,18-,19-,20+/m1/s1
InChIKeySKVSRCSHPJLAFK-OYWFEPEISA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (16724861)
ChEBI Ontology
Outgoing Relation(s)
Scopararane B (CHEBI:199621) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,3R,5S,6R,9S,10S)-5-ethenyl-3,6,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Manual XrefsDatabases
78436521ChemSpider