Summary

Molecular formula: C19H22O4
SMILES: CC(=CCOc1ccc(cc1)C1=C(CC(C)C)C(=O)OC1=O)C
InChI: InChI=1S/C19H22O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13H,10-11H2,1-4H3
InChIKey: ZXIUCXGVUOQMSH-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(c2ccccc2)C(=O)O1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(O)O1

Scaffold Graph level:
CC1CC(C)C(C2CCCCC2)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenol ethers

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Synonymous chemical names:
3-isobutyl-4-[4-(3-methyl-2-butenyloxy)-phenyl]furan-2,5-dione, 3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]furan-2,5-dione, antrodin a

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External chemical identifiers:
CID_10470895; CAS_656830-24-9; NPATLAS_NPA016266; CHEMSPIDER_78442270, CHEMSPIDER_8646306; ZINC_ZINC000044417523

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Chemical structure download