6-demethylsterigmatocystin

Chemical Formula:

C₁₇H₁₀O₆

Molecular Weight:

310.262 Daltons

Monoisotopic Mass:

310.04773805359997 Daltons

SMILES:

C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))

InChI:

1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1

InChIKey:

RQQOEIJLJPCYJR-BWKAKNAASA-N

Databases

MetaCyc: 6-DEMETHYLSTERIGMATOCYSTIN

RefMet: 6-Demethylsterigmatocystin

MetaboLights: MTBLC18236

HMDB: HMDB33657

LIPID MAPS: LMPK10000002

ChemSpider: 4444228

PubChem (CID): 5280620

ChEBI: 18236

KEGG: C03683

Seed: cpd02314

MetaNetX: MNXM3516