Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C(O)C(OC3OC2=C1)N(C=O)C1=C(NC2CC(O)C(CO[P+](O)=O)O2)NC(N)=NC1=O
InChIKey
InChIKey=WDNYTWXQMRQADC-UHFFFAOYSA-P
Formula
C27H27N5O14P
Mass
676.507
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Furanocoumarins
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Level 5
Angular furanocoumarins
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Level 6
Aflatoxins
- Level 7 Difurocoumarocyclopentenones
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Level 6
Aflatoxins
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Level 5
Angular furanocoumarins
-
Subclass
Furanocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Angular furanocoumarins - Aflatoxins
Direct Parent
Difurocoumarocyclopentenones
Alternative Parents
Difurocoumarins 1-benzopyrans Pentoses Coumarans Anisoles Aryl alkyl ketones Alkyl aryl ethers Secondary alkylarylamines Aminopyrimidines and derivatives Pyrimidones Pyranones and derivatives Primary aromatic amines Hydropyrimidines Heteroaromatic compounds Oxolanes Vinylogous amides Tertiary carboxylic acid amides Lactones Secondary alcohols Amino acids and derivatives Acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - Pentose monosaccharide - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aminopyrimidine - Pyranone - Pyrimidone - Secondary aliphatic/aromatic amine - Monosaccharide - Primary aromatic amine - Pyran - Pyrimidine - Benzenoid - Hydropyrimidine - Oxolane - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Ketone - Lactone - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Aldehyde - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
External Descriptors
Not available