EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214048 - Botryosphaerin F

ChEBI IDCHEBI:214048
ChEBI NameBotryosphaerin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O5
Net Charge0
Average Mass292.331
Monoisotopic Mass292.13107
SMILESC[C@@]12CCC[C@]3(C)C4=CC(=O)OC[C@H]4[C@H](O)[C@@H](OC1=O)[C@@H]23
InChIInChI=1S/C16H20O5/c1-15-4-3-5-16(2)13(15)12(21-14(16)19)11(18)8-7-20-10(17)6-9(8)15/h6,8,11-13,18H,3-5,7H2,1-2H3/t8-,11+,12-,13-,15-,16+/m1/s1
InChIKeyAHMYWLVSCSDIAQ-WDQVFQSZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23521163)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerin F (CHEBI:214048) is a organic heterotricyclic compound (CHEBI:26979)
Botryosphaerin F (CHEBI:214048) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,7S,8S,9S,12S,16R)-8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadec-2-ene-4,11-dione
Manual XrefsDatabases
30771217ChemSpider