CID 163088876
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Structural Information
- Molecular Formula
- C22H22O10
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)O)O)O
- InChI
- InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)31-12-7-13(24)15-14(8-12)32-20(21(29-2)17(15)26)10-3-5-11(23)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3/t9-,16-,18+,19+,22-/m0/s1
- InChIKey
- BIFYEBAZZKWGEE-HOHGHBTGSA-N
- Compound name
- 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.12858 | 202.9 |
[M+Na]+ | 469.11052 | 210.4 |
[M-H]- | 445.11402 | 209.7 |
[M+NH4]+ | 464.15512 | 207.1 |
[M+K]+ | 485.08446 | 210.5 |
[M+H-H2O]+ | 429.11856 | 193.3 |
[M+HCOO]- | 491.11950 | 213.0 |
[M+CH3COO]- | 505.13515 | 226.9 |
[M+Na-2H]- | 467.09597 | 202.5 |
[M]+ | 446.12075 | 206.9 |
[M]- | 446.12185 | 206.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.