Summary

Molecular formula: C15H18O5
SMILES: OC/C(=CCOc1cc2COC(=O)c2c(c1C)OC)/C
InChI: InChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4-
InChIKey: AKQXDTZFGGTDHR-WTKPLQERSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCc2ccccc21

Scaffold Graph/Node level:
OC1OCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC12

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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:
(2')-(z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide

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External chemical identifiers:
CID_139585080; NPATLAS_NPA007043; CHEMSPIDER_78435627

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Chemical structure download