EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207169 - Abybetaomicin S

ChEBI IDCHEBI:207169
ChEBI NameAbybetaomicin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O9
Net Charge0
Average Mass410.419
Monoisotopic Mass410.15768
SMILESC[C@H]1C[C@](C)(O)C(=O)[C@@H]2[C@@H](O)[C@H]3[C@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@@]4(C)O
InChIInChI=1S/C20H26O9/c1-7-5-16(2,26)13(23)9-12(22)8-14(24)18(4)17(3,27)6-19(8)20(9,29-18)10(11(7)21)15(25)28-19/h7-9,12,14,21-22,24,26-27H,5-6H2,1-4H3/t7-,8-,9-,12-,14-,16-,17+,18+,19-,20+/m0/s1
InChIKeyNAYVDWJFVXWOFH-YWNJRVHOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LC-6-2 (ncbitaxon:1676287) - PubMed (28358212)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin S (CHEBI:207169) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2S,3S,4S,5R,7S,9S,14S,16R,18R)-2,4,7,10,16-pentahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione