CID 21579118
2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol
Structural Information
- Molecular Formula
- C27H31O15
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C(=C(C4=C3)O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
- InChI
- InChI=1S/C27H30O15/c1-9-17(30)21(34)23(36)26(39-9)38-8-16-20(33)22(35)24(37)27(42-16)41-15-6-12-14(7-13(29)19(32)18(12)31)40-25(15)10-2-4-11(28)5-3-10/h2-7,9,16-17,20-24,26-27,30,33-37H,8H2,1H3,(H3-,28,29,31,32)/p+1/t9-,16+,17-,20+,21+,22-,23+,24+,26+,27+/m0/s1
- InChIKey
- XIDHXEBXMRVDTC-LQDBSNMASA-O
- Compound name
- 2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 596.17358 | 233.1 |
[M+Na]+ | 618.15552 | 239.1 |
[M-H]- | 594.15902 | 228.1 |
[M+NH4]+ | 613.20012 | 235.9 |
[M+K]+ | 634.12946 | 235.2 |
[M+H-H2O]+ | 578.16356 | 227.3 |
[M+HCOO]- | 640.16450 | 237.8 |
[M+CH3COO]- | 654.18015 | 241.9 |
[M+Na-2H]- | 616.14097 | 258.6 |
[M]+ | 595.16575 | 254.6 |
[M]- | 595.16685 | 254.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.