Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C3C(OC(O)C3SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2

InChIKey

InChIKey=RMYLOOCNBGONLU-UHFFFAOYSA-N

Formula

C29H31N3O13S

Mass

661.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Sterigmatocystins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Sterigmatocystins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Sterigmatocystin backbone - Alpha peptide - Xanthone - Xanthene - Dibenzopyran - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Chromone - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Dicarboxylic acid or derivatives - Pyran - Vinylogous ester - Heteroaromatic compound - Tetrahydrofuran - Amino acid - Amino acid or derivatives - Hemiacetal - Acetal - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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

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