CID 101406317
5-hydroxy-2-(4-methoxyphenyl)-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Structural Information
- Molecular Formula
- C28H32O15
- SMILES
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
- InChI
- InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-13(32)7-15(42-28-25(38)23(36)21(34)17(9-30)43-28)19(26(18)40-14)27-24(37)22(35)20(33)16(8-29)41-27/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1
- InChIKey
- UZDCKPYGVMHOPB-QQUSBYFVSA-N
- Compound name
- 5-hydroxy-2-(4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4S,5S,6R)-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]+ | 609.18141 | 237.1 |
[M+Na]+ | 631.16335 | 241.1 |
[M-H]- | 607.16685 | 232.6 |
[M+NH4]+ | 626.20795 | 238.5 |
[M+K]+ | 647.13729 | 237.0 |
[M+H-H2O]+ | 591.17139 | 229.7 |
[M+HCOO]- | 653.17233 | 240.4 |
[M+CH3COO]- | 667.18798 | 244.5 |
[M+Na-2H]- | 629.14880 | 260.3 |
[M]+ | 608.17358 | 246.7 |
[M]- | 608.17468 | 246.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.