Summary

Molecular formula: C15H15ClO6
SMILES: Oc1ccc(c(c1)C(=O)C[C@]12CC[C@@H]([C@]2(Cl)COC1=O)O)O
InChI: InChI=1S/C15H15ClO6/c16-15-7-22-13(21)14(15,4-3-12(15)20)6-11(19)9-5-8(17)1-2-10(9)18/h1-2,5,12,17-18,20H,3-4,6-7H2/t12-,14+,15+/m0/s1
InChIKey: TXJDUJRYAVNVFX-NWANDNLSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC12CCCC1COC2=O)c1ccccc1

Scaffold Graph/Node level:
OC(CC12CCCC1COC2O)C1CCCCC1

Scaffold Graph level:
CC(CC12CCCC1CCC2C)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
applanatumol j

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External chemical identifiers:
CID_132542819; NPATLAS_NPA009969; CHEMSPIDER_78441104

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Chemical structure download