Metabolomics Structure Database

 
MW REGNO: 66054
Common Name:Versicolorin B
Systematic Name:(3aS,12aR)-4,6,8-trihydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione
RefMet Name:Versicolorin B
Synonyms:versicolorin B [PubChem Synonyms]
Exact Mass:
340.0583 (neutral)    Calculate m/z:
Formula:C18H12O7
InChIKey:BABJNKGTTYCTOO-ULCDLSAGSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Aromatic polyketides
LIPID MAPS subclass:Anthracenes and phenanthrenes
SMILES:C1CO[C@H]2[C@@H]1c1c(cc3c(C(=O)c4c(cc(cc4O)O)C3=O)c1O)O2
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:107849
CHEBI ID:72674

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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