Compound Identification
SMILES
O[C@@H]1C2=C(O[C@H](C3=CC=C(C=C3)[N+]([O-])=O)[C@@]1(Cl)[N+]([O-])=O)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=ALROBKIWYCXNLI-KFWWJZLASA-N
Formula
C15H10ClN3O8
Mass
395.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavan-4-ols
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Subclass
Flavans
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavan-4-ols
Alternative Parents
4-hydroxyflavonoids 1-benzopyrans Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Secondary alcohols Chlorohydrins Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Alkyl chlorides Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - Flavan-4-ol - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Chlorohydrin - Halohydrin - C-nitro compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl halide - Alkyl chloride - Organic salt - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.
External Descriptors
Not available