Summary

Molecular formula: C16H16O6
SMILES: O=CC1=CCC[C@@](C1)(CC(=O)c1cc(O)ccc1O)C(=O)O
InChI: InChI=1S/C16H16O6/c17-9-10-2-1-5-16(7-10,15(21)22)8-14(20)12-6-11(18)3-4-13(12)19/h2-4,6,9,18-19H,1,5,7-8H2,(H,21,22)/t16-/m1/s1
InChIKey: BIAWVSQLGIZZHL-MRXNPFEDSA-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 o

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External chemical identifiers:
CID_139583743; NPATLAS_NPA002320; CHEMSPIDER_78440777

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Chemical structure download