Summary

Molecular formula: C16H18O7
SMILES: OC(=O)[C@@H](CC(=O)c1cc(O)ccc1O)CC/C=C(/C(=O)O)C
InChI: InChI=1S/C16H18O7/c1-9(15(20)21)3-2-4-10(16(22)23)7-14(19)12-8-11(17)5-6-13(12)18/h3,5-6,8,10,17-18H,2,4,7H2,1H3,(H,20,21)(H,22,23)/b9-3+/t10-/m1/s1
InChIKey: AXGVFLQALSABLQ-OTVCUZDGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
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 t

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External chemical identifiers:
CID_139584073; NPATLAS_NPA003517; CHEMSPIDER_78440830

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Chemical structure download