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CHEBI:210177 - Neoabybetaomicin E

ChEBI IDCHEBI:210177
ChEBI NameNeoabybetaomicin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O9
Net Charge0
Average Mass474.506
Monoisotopic Mass474.18898
SMILESCC1=C(O)[C@](C)([C@@H]2CC(=O)[C@@H](C)CCC(=O)C3=C4O[C@@]5(C)[C@@H](C)C[C@]4(OC3=O)[C@@H]2[C@@H]5O)OC1=O
InChIInChI=1S/C25H30O9/c1-10-6-7-14(26)16-20-25(34-22(16)31)9-11(2)23(4,32-20)19(29)17(25)13(8-15(10)27)24(5)18(28)12(3)21(30)33-24/h10-11,13,17,19,28-29H,6-9H2,1-5H3/t10-,11-,13+,17-,19-,23-,24-,25-/m0/s1
InChIKeyAZCMFNIOTHOTOO-LUCYQVCOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30070834)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin E (CHEBI:210177) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,2S,3S,4R,7S,14S,16S)-2-hydroxy-4-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione