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CHEBI:210999 - Neoabybetaomicin B

ChEBI IDCHEBI:210999
ChEBI NameNeoabybetaomicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O7
Net Charge0
Average Mass362.378
Monoisotopic Mass362.13655
SMILESC[C@H]1CCC(=O)C2=C3O[C@@]4(C)[C@@H](C)C[C@]3(OC2=O)[C@@H](/C=C/C(=O)O1)[C@@H]4O
InChIInChI=1S/C19H22O7/c1-9-8-19-11-5-7-13(21)24-10(2)4-6-12(20)14(17(23)26-19)16(19)25-18(9,3)15(11)22/h5,7,9-11,15,22H,4,6,8H2,1-3H3/b7-5+/t9-,10-,11-,15-,18-,19-/m0/s1
InChIKeyAYFGLFCHCAUWKV-NFUGBNBJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2017.07.034)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin B (CHEBI:210999) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,2S,3S,4E,8S,15S,17S)-2-hydroxy-1,8,17-trimethyl-7,14,18-trioxatetracyclo[10.5.2.03,15.015,19]nonadeca-4,12(19)-diene-6,11,13-trione