Summary

IMPPAT Phytochemical identifier: IMPHY015335

Phytochemical name: Ethylmethylmaleic anhydride

Synonymous chemical names:
3-ethyl-4-methyl-2,5-furandione, ethylmethylmaleic anhydride

External chemical identifiers:
CID:77091, ZINC:ZINC000077292364, SureChEMBL:SCHEMBL3292856

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Chemical structure information

SMILES:
CCC1=C(C)C(=O)OC1=O

InChI:
InChI=1S/C7H8O3/c1-3-5-4(2)6(8)10-7(5)9/h3H2,1-2H3

InChIKey:
ZVUUAOZFEUKPLC-UHFFFAOYSA-N

DeepSMILES:
CCC=CC)C=O)OC5=O

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: 1.589

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Chemical structure download