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CHEBI:199171 - Abybetaomicin B

ChEBI IDCHEBI:199171
ChEBI NameAbybetaomicin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23NO7
Net Charge0
Average Mass377.393
Monoisotopic Mass377.14745
SMILESC[C@@H]1C[C@H](C)[C@]2(O)CC(=NO2)[C@@H]2[C@@H](O)[C@@H]3OC4=C(C(=O)O[C@@]42C[C@H]3C)C1=O
InChIInChI=1S/C19H23NO7/c1-7-4-9(3)19(24)6-10(20-27-19)12-14(22)15-8(2)5-18(12)16(25-15)11(13(7)21)17(23)26-18/h7-9,12,14-15,22,24H,4-6H2,1-3H3/t7-,8-,9+,12-,14-,15-,18-,19+/m1/s1
InChIKeyJKMXMRTVIHXWDO-MTONHXPSSA-N
Species of MetaboliteComponentSourceComments
Verrucosisporaspecies (ncbitaxon:1871626) - PubMed (15127456)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin B (CHEBI:199171) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,2R,3R,7S,8S,10R,15R,17R)-2,7-dihydroxy-8,10,17-trimethyl-6,14,18-trioxa-5-azapentacyclo[10.5.2.14,7.03,15.015,19]icosa-4,12(19)-diene-11,13-dione
Manual XrefsDatabases
9512824ChemSpider