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5,7,3'-TRIHYDROXY-2'-(3-METHYLBUT-2-ENYL)-4',5'-(3,3-DIMETHYLPYRANO)-ISOFLAVONE
SpectraBase Compound ID 3NCnVfyrBBk
InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
InChIKey MXRSYAGBZPTIHM-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C25H24O6
Exact Mass 420.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVrKjDqMZLE
Name 5,7,8'-trihydroxy-2',2'-dimethyl-7'-(3-methylbut-2-en-1-yl)-2'H,4H-[3,6'-bichromen]-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O6
InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
InChIKey MXRSYAGBZPTIHM-UHFFFAOYSA-N
Molecular Weight 420.461 g/mol
SMILES Oc1c(c(C=2C(c3c(cc(cc3O)O)OC2)=O)cc2c1OC(C=C2)(C)C)CC=C(C)C
SPLASH splash10-0kmr-3967700000-a68636c35ff260097a1a
Source of Spectrum Yan Wang, et al. Bioorganic & Medicinal Chemistry, V. 21, 2013, P.6398-6404
Wiley ID 1817413