CID 11765414
Salvianolic acid l
Structural Information
- Molecular Formula
- C36H30O16
- SMILES
- C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O
- InChI
- InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48)
- InChIKey
- CLZDRNKNWXDFQT-UHFFFAOYSA-N
- Compound name
- 2-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 719.16068 | 245.5 |
[M+Na]+ | 741.14262 | 252.0 |
[M-H]- | 717.14612 | 248.9 |
[M+NH4]+ | 736.18722 | 249.4 |
[M+K]+ | 757.11656 | 241.1 |
[M+H-H2O]+ | 701.15066 | 227.9 |
[M+HCOO]- | 763.15160 | 251.0 |
[M+CH3COO]- | 777.16725 | 254.6 |
[M+Na-2H]- | 739.12807 | 269.4 |
[M]+ | 718.15285 | 271.4 |
[M]- | 718.15395 | 271.4 |