Summary

Molecular formula: C15H22O4
SMILES: OC[C@@]12O[C@@]34O[C@@H]1[C@H](C[C@]2(C)[C@@]3(C)CCC(=C4)C)O
InChI: InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1
InChIKey: GFLMBFRNOPTZDK-CMBQYIQPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23OC4CCC(C4O2)C3CC1

Scaffold Graph/Node level:
C1CCC23OC4CCC(C4O2)C3C1

Scaffold Graph level:
C1CCC23CC4CCC(C4C2)C3C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Oxepanes

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Synonymous chemical names:
sambucinol

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External chemical identifiers:
CID_5459101; CAS_90044-33-0; CHEMSPIDER_10212194

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Chemical structure download