Summary

Molecular formula: C12H13ClO5
SMILES: COc1cc(cc(c1Cl)OC)[C@@H]1C[C@H](C(=O)O1)O
InChI: InChI=1S/C12H13ClO5/c1-16-9-3-6(4-10(17-2)11(9)13)8-5-7(14)12(15)18-8/h3-4,7-8,14H,5H2,1-2H3/t7-,8+/m1/s1
InChIKey: PIIDBVHDAFZNQD-SFYZADRCSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(c2ccccc2)O1

Scaffold Graph/Node level:
OC1CCC(C2CCCCC2)O1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Benzene and substituted derivatives
Sub class: Methoxybenzenes

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Synonymous chemical names:
erinaceolactone c

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External chemical identifiers:
CID_101910506; NPATLAS_NPA012934; CHEMSPIDER_78437809

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Chemical structure download