Summary

Molecular formula: C13H16O4
SMILES: C[C@H](C[C@@H]1OC(=O)c2c(C1)ccc(c2O)C)O
InChI: InChI=1S/C13H16O4/c1-7-3-4-9-6-10(5-8(2)14)17-13(16)11(9)12(7)15/h3-4,8,10,14-15H,5-6H2,1-2H3/t8-,10+/m1/s1
InChIKey: WDCHVRICDGHOKM-SCZZXKLOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCc2ccccc21

Scaffold Graph/Node level:
OC1OCCC2CCCCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzopyrans
Sub class: 2-benzopyrans

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Synonymous chemical names:
3r-(2r-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine

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External chemical identifiers:
CID_44233882; NPATLAS_NPA013662; CHEMSPIDER_78441281; ZINC_ZINC000144458878

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Chemical structure download