Summary

Molecular formula: C16H16O6
SMILES: O=CC(=C)[C@H]1CC[C@H]([C@@H]1C(=O)c1cc(O)ccc1O)C(=O)O
InChI: InChI=1S/C16H16O6/c1-8(7-17)10-3-4-11(16(21)22)14(10)15(20)12-6-9(18)2-5-13(12)19/h2,5-7,10-11,14,18-19H,1,3-4H2,(H,21,22)/t10-,11-,14-/m1/s1
InChIKey: PLGMDEYIMRPUAI-JTNHKYCSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)C1CCCC1

Scaffold Graph/Node level:
OC(C1CCCCC1)C1CCCC1

Scaffold Graph level:
CC(C1CCCCC1)C1CCCC1

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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 v

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External chemical identifiers:
CID_139584428; NPATLAS_NPA004774; CHEMSPIDER_78440878

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Chemical structure download