CHEBI:210187 - Neoabybetaomicin A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Neoabybetaomicin A2
ChEBI ID CHEBI:210187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.394
Monoisotopic Mass 364.15220
InChI InChI=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
InChIKey SSTZMQDHQKBAOO-BROVLLADSA-N
SMILES O=C1[C@H](CCC(=O)[C@H]2[C@H](C1)[C@@H]3[C@@]4(C(=O)O[C@@]([C@H]3O)(C)[C@H](C4)C)OC2=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
71048520 ChemSpider
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