CID 156713
76532-04-2
Structural Information
- Molecular Formula
- C21H24O12
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2C(C3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O
- InChI
- InChI=1S/C21H24O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,16-30H,1H3/t6-,14-,16?,17+,18+,19?,20?,21-/m0/s1
- InChIKey
- FSGNSYZESMMQHF-WWNVCBLISA-N
- Compound name
- 3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 469.13405 | 208.6 |
[M+Na]+ | 491.11599 | 213.3 |
[M-H]- | 467.11949 | 210.1 |
[M+NH4]+ | 486.16059 | 209.3 |
[M+K]+ | 507.08993 | 214.2 |
[M+H-H2O]+ | 451.12403 | 200.0 |
[M+HCOO]- | 513.12497 | 210.0 |
[M+CH3COO]- | 527.14062 | 228.2 |
[M+Na-2H]- | 489.10144 | 232.4 |
[M]+ | 468.12622 | 207.8 |
[M]- | 468.12732 | 207.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.