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Annularin A
SpectraBase Compound ID LCmKEcNm1da
InChI InChI=1S/C10H14O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,11H,4H2,1-3H3/t7-/m0/s1
InChIKey PMAGWBXRCQWPNQ-ZETCQYMHSA-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 AoHZZ8GlewU
Name Annularin A
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,11H,4H2,1-3H3/t7-/m0/s1
InChIKey PMAGWBXRCQWPNQ-ZETCQYMHSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030225y
Molecular Weight 198.218 g/mol
Optical Rotation [a]D = +33 (c = 0.4, CH2Cl2)
SMILES O[C@](C=1OC(C=C(C1C)OC)=O)(CC)[H]
SPLASH splash10-001r-5900000000-ef51b14b552779ad6ebf
Source of Spectrum G4-66-1305-1
Wiley ID 1883890