Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC(=O)C=CC2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=BFQBXRKGTZLRFQ-UHFFFAOYSA-N
Formula
C17H13NO6
Mass
327.292
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Benzyloxycarbonyls Benzodioxoles Nitrobenzenes Styrenes Nitroaromatic compounds Fatty acid esters Enoate esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Benzodioxole - Nitrobenzene - Nitroaromatic compound - Styrene - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available