Summary

Molecular formula: C10H8O4
SMILES: COc1cc2ccc(=O)oc2cc1O
InChI: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey: RODXRVNMMDRFIK-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Coumarins and derivatives
Sub class: Hydroxycoumarins

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Synonymous chemical names:
scopoletin

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External chemical identifiers:
CID_5280460; CAS_92-61-5; CHEMSPIDER_4444113; ZINC_ZINC000000057733; Molport_MolPort-000-707-493

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Chemical structure download