Summary

Molecular formula: C16H20O7
SMILES: OCC([C@@H]1CC[C@](O1)(CC(=O)c1cc(O)ccc1O)C(=O)O)C
InChI: InChI=1S/C16H20O7/c1-9(8-17)14-4-5-16(23-14,15(21)22)7-13(20)11-6-10(18)2-3-12(11)19/h2-3,6,9,14,17-19H,4-5,7-8H2,1H3,(H,21,22)/t9?,14-,16-/m0/s1
InChIKey: VOBDLFOMWLMXRY-NTFNSIDBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCCO1)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CCCO1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCC1)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 r

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External chemical identifiers:
CID_139586707; NPATLAS_NPA013022; CHEMSPIDER_78441244

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Chemical structure download