CID 14375131
Natsudaidain 3-glucoside
Structural Information
- Molecular Formula
- C27H32O14
- SMILES
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O)OC
- InChI
- InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3
- InChIKey
- MSTIUVOQDAVXIA-UHFFFAOYSA-N
- Compound name
- 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-[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]+ | 581.18648 | 232.5 |
[M+Na]+ | 603.16842 | 238.3 |
[M-H]- | 579.17192 | 240.3 |
[M+NH4]+ | 598.21302 | 231.7 |
[M+K]+ | 619.14236 | 243.3 |
[M+H-H2O]+ | 563.17646 | 220.8 |
[M+HCOO]- | 625.17740 | 242.2 |
[M+CH3COO]- | 639.19305 | 257.5 |
[M+Na-2H]- | 601.15387 | 229.7 |
[M]+ | 580.17865 | 246.4 |
[M]- | 580.17975 | 246.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.