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Alkannin
SpectraBase Compound ID AhILJzvq65D
InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
InChIKey NEZONWMXZKDMKF-JTQLQIEISA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nTIeoThjM
Name Alkannin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
InChIKey NEZONWMXZKDMKF-JTQLQIEISA-N
Molecular Weight 288.299 g/mol
SMILES Oc1c2c(C(C([C@](CC=C(C)C)(O)[H])=CC2=O)=O)c(cc1)O
SPLASH splash10-00xr-5490000000-e879faa74b141a06b76e
Source of Spectrum CD-555-0-0
Synonyms 2-[(1S)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione 5,8-Dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone 5,8-Dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
Wiley ID 1291658