Compound Identification
SMILES
C[C@@H]1N=C(O[C@H]1C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)[C@@]2(C)CO2)[C@@]11CO1)c1ccccc1
InChIKey
InChIKey=WWSQABNQPVORAN-GIQAYKMLSA-N
Formula
C30H31NO9
Mass
549.576
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
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Level 5
Sesquiterpene lactones
- Level 6 Guaianolides and derivatives
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Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Sesquiterpene lactones
Direct Parent
Guaianolides and derivatives
Alternative Parents
Guaianes Tricarboxylic acids and derivatives Oxirane carboxylic acids Gamma butyrolactones Benzene and substituted derivatives Tetrahydrofurans Oxazolines Enoate esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - Tricarboxylic acid or derivatives - Benzenoid - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Gamma butyrolactone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Oxazoline - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available