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Annularin B
SpectraBase Compound ID Je6FLe7nWNg
InChI InChI=1S/C10H14O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,11H,3-4,6H2,1-2H3
InChIKey ZWMLESXRXFUSQE-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oc70HsjFNe
Name Annularin B
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,11H,3-4,6H2,1-2H3
InChIKey ZWMLESXRXFUSQE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030225y
Molecular Weight 198.218 g/mol
SMILES OCC1=C(OC(C=C1OC)=O)CCC
SPLASH splash10-0udj-0900000000-452328b2d05571a7e718
Source of Spectrum G4-66-1305-2
Wiley ID 1883891