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CHEBI:211005 - Neoabybetaomicin C

ChEBI IDCHEBI:211005
ChEBI NameNeoabybetaomicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESC[C@H](O)CCC(=O)C1=C2O[C@@]3(C)[C@@H](C)C[C@]2(OC1=O)[C@@H](/C=C/C(=O)O)[C@@H]3O
InChIInChI=1S/C19H24O8/c1-9-8-19-11(5-7-13(22)23)15(24)18(9,3)26-16(19)14(17(25)27-19)12(21)6-4-10(2)20/h5,7,9-11,15,20,24H,4,6,8H2,1-3H3,(H,22,23)/b7-5+/t9-,10-,11-,15-,18-,19-/m0/s1
InChIKeyHXUORWAUCSCXSP-NFUGBNBJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2017.07.034)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin C (CHEBI:211005) is a oxanes (CHEBI:46942)
IUPAC Name 
(E)-3-[(1S,7S,8S,9S,11S)-8-hydroxy-4-[(4S)-4-hydroxypentanoyl]-7,11-dimethyl-3-oxo-2,6-dioxatricyclo[5.2.2.01,5]undec-4-en-9-yl]prop-2-enoic acid
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78439176ChemSpider