Summary

Molecular formula: C15H22O3
SMILES: OC[C@@]12O[C@@]34O[C@@H]1CC[C@]2(C)[C@@]3(C)CCC(=C4)C
InChI: InChI=1S/C15H22O3/c1-10-4-6-13(3)12(2)7-5-11-14(12,9-16)18-15(13,8-10)17-11/h8,11,16H,4-7,9H2,1-3H3/t11-,12-,13-,14-,15-/m1/s1
InChIKey: SFDJEINPFSNJBN-KJWHEZOQSA-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:
3-deoxysambucinol

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External chemical identifiers:
CID_100969597; CAS_104148-46-1; CHEMSPIDER_58827859

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Chemical structure download