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CHEBI:200852 - Brevione L

ChEBI IDCHEBI:200852
ChEBI NameBrevione L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCC1=CC[C@@H]2[C@@]3(C)[C@@H](O)CC(=O)OC(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H36O6/c1-14-8-9-19-25(6,27(14)13-17-22(33-27)15(2)16(3)31-23(17)30)11-10-18-24(4,5)32-21(29)12-20(28)26(18,19)7/h8,18-20,28H,9-13H2,1-7H3/t18-,19-,20-,25+,26-,27-/m0/s1
InChIKeyTXWMHOWQHXLYRF-XTADJAQGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - PubMed (26517152)
ChEBI Ontology
Outgoing Relation(s)
Brevione L (CHEBI:200852) is a lactone (CHEBI:25000)
IUPAC Name 
(1S,5aR,7aR,8S,11aR,11bR)-1-hydroxy-5,5,6',7',7a,9,11b-heptamethylspiro[2,5a,6,7,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,2'-3H-uro[3,2-c]pyran]-3,4'-dione
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58919169ChemSpider