CID 44260075
3-demethyldigicitrin
Structural Information
- Molecular Formula
- C20H20O10
- SMILES
- COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
- InChI
- InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3
- InChIKey
- SBECGZQEVBSJHM-UHFFFAOYSA-N
- Compound name
- 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 421.11293 | 192.2 |
[M+Na]+ | 443.09487 | 203.0 |
[M-H]- | 419.09837 | 198.8 |
[M+NH4]+ | 438.13947 | 201.0 |
[M+K]+ | 459.06881 | 203.7 |
[M+H-H2O]+ | 403.10291 | 183.3 |
[M+HCOO]- | 465.10385 | 210.0 |
[M+CH3COO]- | 479.11950 | 225.9 |
[M+Na-2H]- | 441.08032 | 193.6 |
[M]+ | 420.10510 | 205.0 |
[M]- | 420.10620 | 205.0 |
Literature stripe
Patent stripe
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