CID 42608028
Exiguaflavanone c
Structural Information
- Molecular Formula
- C25H28O7
- SMILES
- CC(=CCC(CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=C(C=C(C=C3O)O)O)O)C(=C)C)C
- InChI
- InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)7-16-17(27)10-22-24(25(16)31)20(30)11-21(32-22)23-18(28)8-15(26)9-19(23)29/h5,8-10,14,21,26-29,31H,3,6-7,11H2,1-2,4H3/t14?,21-/m0/s1
- InChIKey
- WTIQDOKIDGQYSN-YNNZGITBSA-N
- Compound name
- (2S)-5,7-dihydroxy-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 441.19078 | 206.0 |
[M+Na]+ | 463.17272 | 210.9 |
[M-H]- | 439.17622 | 207.6 |
[M+NH4]+ | 458.21732 | 211.8 |
[M+K]+ | 479.14666 | 207.3 |
[M+H-H2O]+ | 423.18076 | 198.7 |
[M+HCOO]- | 485.18170 | 213.4 |
[M+CH3COO]- | 499.19735 | 228.5 |
[M+Na-2H]- | 461.15817 | 199.6 |
[M]+ | 440.18295 | 205.7 |
[M]- | 440.18405 | 205.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.