Compound Identification
SMILES
CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C3OC4OC=CC4C3=C1O2
InChIKey
InChIKey=IGYWEDCNAGIORC-UHFFFAOYSA-N
Formula
C21H14O8
Mass
394.335
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Sterigmatocystins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Sterigmatocystins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Sterigmatocystins
Alternative Parents
Xanthones Chromones Coumarans Pyranones and derivatives Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Dihydrofurans Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sterigmatocystin backbone - Xanthone - Xanthene - Dibenzopyran - Chromone - 1-benzopyran - Benzopyran - Coumaran - Pyranone - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Dihydrofuran - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound 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.
External Descriptors
Not available