Summary

Molecular formula: C15H18O5
SMILES: COc1c(C)c(OCC2OC2(C)C)cc2c1C(=O)OC2
InChI: InChI=1S/C15H18O5/c1-8-10(18-7-11-15(2,3)20-11)5-9-6-19-14(16)12(9)13(8)17-4/h5,11H,6-7H2,1-4H3
InChIKey: IGRWJIGTYFRXTD-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCc2cc(OCC3CO3)ccc21

Scaffold Graph/Node level:
OC1OCC2CC(OCC3CO3)CCC21

Scaffold Graph level:
CC1CCC2CC(CCC3CC3)CCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Isocoumarans
Sub class: Isobenzofuranones

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Synonymous chemical names:
5-(2',3'-epoxy-3',3'-dimethylpropoxy)-7-methoxy-6-methylphthalide

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External chemical identifiers:
CID_139584501; NPATLAS_NPA005068; CHEMSPIDER_78435608

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Chemical structure download