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CHEBI:207161 - Abybetaomicin R

ChEBI IDCHEBI:207161
ChEBI NameAbybetaomicin R
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@@H]4CO
InChIInChI=1S/C20H26O9/c1-7-4-17(2,27)14(24)10-13(23)9-15(25)18(3)8(6-21)5-19(9)20(10,29-18)11(12(7)22)16(26)28-19/h7-10,13,15,21-23,25,27H,4-6H2,1-3H3/t7-,8+,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1
InChIKeyTYUSHSMNEUZGNO-MWQAONRGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LC-6-2 (ncbitaxon:1676287) - PubMed (28358212)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin R (CHEBI:207161) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2S,3S,4S,5R,7S,9S,14S,16R,18R)-2,4,7,10-tetrahydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione