CID 14282628
3'-geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
Structural Information
- Molecular Formula
- C26H32O6
- SMILES
- CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC(=C(C=C2)O)O)O)/C)C
- InChI
- InChI=1S/C26H32O6/c1-16(2)6-5-7-17(3)8-11-19-22(29)15-24(32-4)25(26(19)31)21(28)13-10-18-9-12-20(27)23(30)14-18/h6,8-9,12,14-15,27,29-31H,5,7,10-11,13H2,1-4H3/b17-8+
- InChIKey
- OPTNSSIVXUBMMA-CAOOACKPSA-N
- Compound name
- 3-(3,4-dihydroxyphenyl)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methoxyphenyl]propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 441.22716 | 208.1 |
[M+Na]+ | 463.20910 | 212.3 |
[M-H]- | 439.21260 | 209.1 |
[M+NH4]+ | 458.25370 | 215.0 |
[M+K]+ | 479.18304 | 207.1 |
[M+H-H2O]+ | 423.21714 | 200.2 |
[M+HCOO]- | 485.21808 | 220.9 |
[M+CH3COO]- | 499.23373 | 227.7 |
[M+Na-2H]- | 461.19455 | 200.6 |
[M]+ | 440.21933 | 210.9 |
[M]- | 440.22043 | 210.9 |
Literature stripe
Patent stripe
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