CID 131752712
B-d-glucopyranuronosyl-(1->3)-a-d-galactopyranuronosyl-(1->2)-a-l-rhamnopyranosyl-(1->4)-[b-d-glucopyranuronosyl-(1->3)]-a-d-galactopyranuronosyl-(1->2)-l-rhamnopyranose
Structural Information
- Molecular Formula
- C36H54O33
- SMILES
- CC1C(C(C(C(O1)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)C)O)O)OC4C(C(C(C(O4)C(=O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O)O)O)O
- InChI
- InChI=1S/C36H54O33/c1-3-5(37)9(41)23(31(58)59-3)66-35-17(49)19(62-33-14(46)8(40)12(44)21(64-33)28(52)53)25(26(69-35)30(56)57)68-36-24(10(42)6(38)4(2)60-36)67-34-16(48)18(15(47)22(65-34)29(54)55)61-32-13(45)7(39)11(43)20(63-32)27(50)51/h3-26,31-49,58H,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)
- InChIKey
- GIFHBZRJNAUTFG-UHFFFAOYSA-N
- Compound name
- 6-[2-carboxy-6-[2-[2-carboxy-4-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-5-hydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1015.2620 | 298.0 |
[M+Na]+ | 1037.2440 | 295.4 |
[M-H]- | 1013.2475 | 298.8 |
[M+NH4]+ | 1032.2886 | 298.6 |
[M+K]+ | 1053.2179 | 296.8 |
[M+H-H2O]+ | 997.25202 | 302.4 |
[M+HCOO]- | 1059.2530 | 299.0 |
[M+CH3COO]- | 1073.2686 | 301.3 |
[M+Na-2H]- | 1035.2294 | 329.6 |
[M]+ | 1014.2542 | 295.4 |
[M]- | 1014.2553 | 295.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.