CID 10001145
Shoyuflavone b
Structural Information
- Molecular Formula
- C19H14O10
- SMILES
- C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O
- InChI
- InChI=1S/C19H14O10/c20-9-3-1-8(2-4-9)11-7-28-13-6-10(5-12(21)14(13)15(11)22)29-17(19(26)27)16(23)18(24)25/h1-7,16-17,20-21,23H,(H,24,25)(H,26,27)
- InChIKey
- YZECNQRIFYQRPI-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-3-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxybutanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.06598 | 183.4 |
[M+Na]+ | 425.04792 | 188.9 |
[M-H]- | 401.05142 | 185.8 |
[M+NH4]+ | 420.09252 | 189.5 |
[M+K]+ | 441.02186 | 189.1 |
[M+H-H2O]+ | 385.05596 | 175.4 |
[M+HCOO]- | 447.05690 | 195.3 |
[M+CH3COO]- | 461.07255 | 215.0 |
[M+Na-2H]- | 423.03337 | 183.5 |
[M]+ | 402.05815 | 186.5 |
[M]- | 402.05925 | 186.5 |