Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:01:26 UTC
Update Date2022-08-12 20:09:27 UTC
Metabolite IDMMDBc0055658
Metabolite Identification
Common Name8-O-methyldihydrosterigmatocystin
DescriptionDhomst belongs to the class of organic compounds known as sterigmatocystins. These are a group of closely related fungal metabolites chemically characterized by a xanthone moiety fused to a dihydrodifurano or a tetrahydrodifurano moiety. The chemical difference among the various sterigmagocystins are the presence or absence of unsaturation at positions 2 and 3 of the difurano ring system, the substitution pattern on positions 6, 7, and 10 of the xanthone system and/or the substituent on position 3 of the difurano system. They are produced by Aspergilus spp. and Bipolaris spp. Dhomst is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Dhomst.
Structure
Synonyms
ValueSource
1,2-Dihydro-O-methylsterigmatocystinChEBI
DihydromethylsterigmatocystinKegg
8-O-MethyldihydrosterigmatocystinKegg
Molecular FormulaC19H16O6
Average Mass340.331
Monoisotopic Mass340.094688235
IUPAC Name(3S,7R)-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,9,11,14,16,18-hexaen-13-one
Traditional Name(3S,7R)-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,9,11,14,16,18-hexaen-13-one
CAS Registry NumberNot Available
SMILES
[H][C@]12OCC[C@@]1([H])C1=C(O2)C=C(OC)C2=C1OC1=CC=CC(OC)=C1C2=O
InChI Identifier
InChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1
InChI KeyWSBZDTWHZJNGKQ-ZRNGKTOUSA-N