Summary

IMPPAT Phytochemical identifier: IMPHY016300

Phytochemical name: 2,3-Dimethylmaleic anhydride

Synonymous chemical names:
2,3-dimethylmaleic anhydride, dimethylmaleic anhydride

External chemical identifiers:
CID:13010, ChEMBL:CHEMBL2270559, ZINC:ZINC000008100878, FDASRS:6PP3N541QA, SureChEMBL:SCHEMBL138955, MolPort-001-761-691

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Chemical structure information

SMILES:
O=C1OC(=O)C(=C1C)C

InChI:
InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3

InChIKey:
MFGALGYVFGDXIX-UHFFFAOYSA-N

DeepSMILES:
O=COC=O)C=C5C))C

Functional groups:
CC1=C(C)C(=O)OC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)O1

Scaffold Graph/Node level:
OC1CCC(O)O1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: 1.125

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Chemical structure download