Summary

Molecular formula: C16H16O6
SMILES: C=C1[C@H]2CC[C@@]([C@@H]1O)(C(=O)O2)CC(=O)c1cc(O)ccc1O
InChI: InChI=1S/C16H16O6/c1-8-13-4-5-16(14(8)20,15(21)22-13)7-12(19)10-6-9(17)2-3-11(10)18/h2-3,6,13-14,17-18,20H,1,4-5,7H2/t13-,14-,16-/m1/s1
InChIKey: NKSKUMZWMJJCOG-IIAWOOMASA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2(CC(=O)c3ccccc3)CCC1OC2=O

Scaffold Graph/Node level:
CC1CC2(CC(O)C3CCCCC3)CCC1OC2O

Scaffold Graph level:
CC(CC12CCC(CC1C)C(C)C2)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 m

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External chemical identifiers:
CID_139586912; NPATLAS_NPA013762; CHEMSPIDER_78441289

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Chemical structure download