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CHEBI:216485 - Nigbeauvin B

ChEBI IDCHEBI:216485
ChEBI NameNigbeauvin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESC[C@@]1(O)C(=O)C=C2C[C@@H]3O[C@H](O[C@H]3CC=O)[C@]2(O)[C@@H]1O
InChIInChI=1S/C13H16O7/c1-12(17)9(15)5-6-4-8-7(2-3-14)19-11(20-8)13(6,18)10(12)16/h3,5,7-8,10-11,16-18H,2,4H2,1H3/t7-,8-,10+,11-,12+,13+/m0/s1
InChIKeyMBZNUFZCBLXJOY-OWYQUSFFSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigbeauvin B (CHEBI:216485) is a oxacycle (CHEBI:38104)
IUPAC Name 
2-[(1R,2R,3S,4S,9S,10S)-2,3,4-trihydroxy-4-methyl-5-oxo-11,12-dioxatricyclo[7.2.1.02,7]dodec-6-en-10-yl]acetaldehyde