Summary

Molecular formula: C17H20O7
SMILES: COC(=O)[C@]1(CC[C@H](C(=C)[C@H]1O)O)CC(=O)c1cc(O)ccc1O
InChI: InChI=1S/C17H20O7/c1-9-12(19)5-6-17(15(9)22,16(23)24-2)8-14(21)11-7-10(18)3-4-13(11)20/h3-4,7,12,15,18-20,22H,1,5-6,8H2,2H3/t12-,15-,17-/m1/s1
InChIKey: KZQCCTIIHZYRNR-SRCQZFHVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC(CC(=O)c2ccccc2)C1

Scaffold Graph/Node level:
CC1CCCC(CC(O)C2CCCCC2)C1

Scaffold Graph level:
CC1CCCC(CC(C)C2CCCCC2)C1

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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 l

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External chemical identifiers:
CID_139583202; NPATLAS_NPA000420; CHEMSPIDER_78440697

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Chemical structure download