Summary

Molecular formula: C16H18O7
SMILES: OCC1=CCC[C@]([C@@H]1O)(CC(=O)c1cc(O)ccc1O)C(=O)O
InChI: InChI=1S/C16H18O7/c17-8-9-2-1-5-16(14(9)21,15(22)23)7-13(20)11-6-10(18)3-4-12(11)19/h2-4,6,14,17-19,21H,1,5,7-8H2,(H,22,23)/t14-,16-/m1/s1
InChIKey: GUVHIYQXEZUQDO-GDBMZVCRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CC=CCC1)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC1)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 n

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External chemical identifiers:
CID_139583299; NPATLAS_NPA000766; CHEMSPIDER_78440715

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Chemical structure download