CID 53801
Dtxsid20999068
Structural Information
- Molecular Formula
- C26H26O9
- SMILES
- C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)O)O
- InChI
- InChI=1S/C26H26O9/c1-10-7-14-18(16(8-10)32-3)13-9-17(33-4)20-15(27)6-5-12(19(20)24(13)35-26(14)31)25-23(30)22(29)21(28)11(2)34-25/h5-9,11,21-23,25,27-30H,1-4H3/t11-,21+,22+,23-,25-/m1/s1
- InChIKey
- LAFIWGHCXCBAPO-CGVLGGEFSA-N
- Compound name
- 1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 483.16496 | 216.5 |
[M+Na]+ | 505.14690 | 226.3 |
[M-H]- | 481.15040 | 223.5 |
[M+NH4]+ | 500.19150 | 222.4 |
[M+K]+ | 521.12084 | 225.8 |
[M+H-H2O]+ | 465.15494 | 206.4 |
[M+HCOO]- | 527.15588 | 225.2 |
[M+CH3COO]- | 541.17153 | 240.4 |
[M+Na-2H]- | 503.13235 | 217.0 |
[M]+ | 482.15713 | 224.0 |
[M]- | 482.15823 | 224.0 |