EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216166 - Abybetaomicin K

ChEBI IDCHEBI:216166
ChEBI NameAbybetaomicin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESC[C@@H]1C[C@H](C)C(=O)[C@H]2[C@H](O)C3[C@H](O)C4O[C@]25C(=C1O)C(=O)O[C@]35C[C@H]4C
InChIInChI=1S/C19H24O7/c1-6-4-7(2)13(21)11-17(24)26-18-5-8(3)16-15(23)9(18)14(22)10(12(6)20)19(11,18)25-16/h6-10,14-16,21-23H,4-5H2,1-3H3/t6-,7+,8+,9?,10-,14+,15-,16?,18+,19-/m0/s1
InChIKeyVUYKDEHGBXWVQB-BPJYVAKCSA-N
Species of MetaboliteComponentSourceComments
Verrucosisporaspecies MS100128 (ncbitaxon:1171889) - PubMed (23225604)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin K (CHEBI:216166) is a furopyran (CHEBI:74927)
IUPAC Name 
(2S,4R,5S,7S,9R,14R,16R,18S)-2,4,10-trihydroxy-7,9,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione