Compound Identification
SMILES
COC(=O)CC1C(C)(C)C(O)C(O)C2OC34C(O)C(=O)OC(C5=COC=C5)C3(C)C(O)C(=O)C(C43CO3)C12C
InChIKey
InChIKey=PZUCRXBKLJOVFA-UHFFFAOYSA-N
Formula
C27H34O12
Mass
550.557
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Delta valerolactones
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Class
Lactones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Delta valerolactones
Intermediate Tree Nodes
Not available
Direct Parent
Delta valerolactones
Alternative Parents
Oxanes Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Furans Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Cyclic alcohol - Furan - Heteroaromatic compound - Methyl ester - Ketone - Carboxylic acid ester - Secondary alcohol - Ether - Oxirane - Dialkyl ether - Polyol - Carboxylic acid derivative - Oxacycle - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
External Descriptors
Not available