CHEBI:216485 - Nigbeauvin B

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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 Nigbeauvin B
ChEBI ID CHEBI:216485
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O7
Net Charge 0
Average Mass 284.264
Monoisotopic Mass 284.08960
InChI InChI=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
InChIKey MBZNUFZCBLXJOY-OWYQUSFFSA-N
SMILES O=C1C=C2[C@](O)([C@@H]3O[C@@H](C2)[C@H](CC=O)O3)[C@@H]([C@@]1(O)C)O
ChEBI Ontology
Outgoing 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