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CHEBI:210187 - Neoabybetaomicin A2

ChEBI IDCHEBI:210187
ChEBI NameNeoabybetaomicin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESC[C@H]1CCC(=O)[C@@H]2C(=O)O[C@]34C[C@H](C)[C@](C)(OC3=O)[C@@H](O)[C@@H]4[C@H]2CC1=O
InChIInChI=1S/C19H24O7/c1-8-4-5-11(20)13-10(6-12(8)21)14-15(22)18(3)9(2)7-19(14,17(24)26-18)25-16(13)23/h8-10,13-15,22H,4-7H2,1-3H3/t8-,9-,10-,13+,14-,15-,18-,19-/m0/s1
InChIKeySSTZMQDHQKBAOO-BROVLLADSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30070834)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin A2 (CHEBI:210187) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4R,8S,11R,12S,13S,14S,18S)-13-hydroxy-8,14,18-trimethyl-2,15-dioxatetracyclo[12.2.2.01,12.04,11]octadecane-3,5,9,16-tetrone
Manual XrefsDatabases
71048520ChemSpider