CHEBI:210901 - Nenestatin A

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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 Nenestatin A
ChEBI ID CHEBI:210901
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H31NO8
Net Charge 0
Average Mass 509.555
Monoisotopic Mass 509.20497
InChI InChI=1S/C28H31NO8/c1-6-28(37-20-12-17(29(3)4)26(35-5)13(2)36-20)10-9-14-15(27(28)34)11-16-21(14)25(33)23-19(31)8-7-18(30)22(23)24(16)32/h7-11,13,17,20,26,30-31,34H,6,12H2,1-5H3/t13-,17-,20-,26-,28?/m0/s1
InChIKey UXGXZONKJVEYNM-SANFDALLSA-N
SMILES O=C1C2=C(C(=O)C=3C1=C4C(=C(O)C(O[C@@H]5O[C@H]([C@H](OC)[C@H](C5)N(C)C)C)(CC)C=C4)C3)C(O)=CC=C2O
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: DOI
ChEBI Ontology
Outgoing Nenestatin A (CHEBI:210901) is a aminoglycoside (CHEBI:47779)
IUPAC Name
2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-1,6,9-trihydroxybenzo[b]luorene-5,10-dione
Manual Xref Database
78439167 ChemSpider
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