CHEBI:211998 - 6-epi-Ophiobolin L

ChEBI IDCHEBI:211998
ChEBI Name6-epi-Ophiobolin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H]5/C(=C\C[C@H]32)C(=O)OC5(O)C[C@@]4(C)O)O1
InChIInChI=1S/C25H36O5/c1-14(2)10-16-11-15(3)24(29-16)9-8-22(4)12-18-20-17(6-7-19(22)24)21(26)30-25(20,28)13-23(18,5)27/h6,10,15-16,18-20,27-28H,7-9,11-13H2,1-5H3/b17-6+/t15-,16-,18-,19+,20-,22+,23+,24-,25?/m0/s1
InChIKeyABMVTHXMVSOQJZ-GSJGKKMLSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - DOI (10.1021/np50115a009)
ChEBI Ontology
Outgoing Relation(s)
6-epi-Ophiobolin L (CHEBI:211998) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,3R,3'S,5'R,6S,7R,9E,15R,16R)-13,15-dihydroxy-3,3',15-trimethyl-5'-(2-methylprop-1-enyl)spiro[12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-6,2'-oxolane]-11-one
Manual XrefsDatabases
8177561ChemSpider