CID 14524534
128701-05-3
Structural Information
- Molecular Formula
- C21H26O10
- SMILES
- CC1=CC(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)CC(=O)CC(C)O
- InChI
- InChI=1S/C21H26O10/c1-9(23)3-12(24)5-11-6-13(7-15-17(11)14(25)4-10(2)29-15)30-21-20(28)19(27)18(26)16(8-22)31-21/h4,6-7,9,16,18-23,26-28H,3,5,8H2,1-2H3
- InChIKey
- UCHJBTMJIHWPDI-UHFFFAOYSA-N
- Compound name
- 5-(4-hydroxy-2-oxopentyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 439.15988 | 199.9 |
[M+Na]+ | 461.14182 | 204.8 |
[M-H]- | 437.14532 | 202.4 |
[M+NH4]+ | 456.18642 | 204.3 |
[M+K]+ | 477.11576 | 205.3 |
[M+H-H2O]+ | 421.14986 | 191.9 |
[M+HCOO]- | 483.15080 | 207.5 |
[M+CH3COO]- | 497.16645 | 225.7 |
[M+Na-2H]- | 459.12727 | 197.2 |
[M]+ | 438.15205 | 203.5 |
[M]- | 438.15315 | 203.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.