CID 101423606
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Structural Information
- Molecular Formula
- C26H28O15
- SMILES
- C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O)O
- InChI
- InChI=1S/C26H28O15/c27-10-3-1-9(2-4-10)13-5-11(28)17-14(39-13)6-15(19(31)21(17)33)40-26-24(36)22(34)20(32)16(41-26)8-38-25-23(35)18(30)12(29)7-37-25/h1-6,12,16,18,20,22-27,29-36H,7-8H2/t12-,16-,18+,20+,22+,23-,24-,25+,26-/m1/s1
- InChIKey
- SGXXRDVIARYNMJ-XOFAZCOVSA-N
- Compound name
- 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 581.15008 | 231.8 |
[M+Na]+ | 603.13202 | 235.3 |
[M-H]- | 579.13552 | 226.9 |
[M+NH4]+ | 598.17662 | 233.0 |
[M+K]+ | 619.10596 | 232.0 |
[M+H-H2O]+ | 563.14006 | 224.0 |
[M+HCOO]- | 625.14100 | 235.0 |
[M+CH3COO]- | 639.15665 | 239.2 |
[M+Na-2H]- | 601.11747 | 254.2 |
[M]+ | 580.14225 | 240.7 |
[M]- | 580.14335 | 240.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.