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MetaCyc Compound: aflatoxin G2

Synonyms: dihydroaflatoxin G1

Superclasses: a secondary metabolitea toxina mycotoxinan aflatoxin

Chemical Formula: C17H14O7

Molecular Weight: 330.29 Daltons

Monoisotopic Molecular Weight: 330.0739528041 Daltons

aflatoxin G<SUB>2</SUB> compound structure

SMILES: COC1(C5(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC(=O)C4(=C(CCOC(=O)4)5)))

InChI: InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1

InChIKey: InChIKey=WPCVRWVBBXIRMA-WNWIJWBNSA-N

Unification Links: ChEBI:80705, ChemSpider:22132, HMDB:HMDB30475, KEGG:C16754, KNApSAcK:C00023619, PubChem:2724362

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -48.423313Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

aflatoxins B2 and G2 biosynthesis :
8-O-methyldihydrosterigmatocystin → aflatoxin G2


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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