CID 102148673
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Structural Information
- Molecular Formula
- C27H30O16
- SMILES
- C[C@H]1[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)O
- InChI
- InChI=1S/C27H30O16/c1-8-18(31)22(35)24(37)26(40-8)39-7-16-20(33)23(36)25(38)27(43-16)42-15-6-14-17(21(34)19(15)32)12(30)5-13(41-14)9-2-3-10(28)11(29)4-9/h2-6,8,16,18,20,22-29,31-38H,7H2,1H3/t8-,16+,18-,20+,22+,23-,24+,25+,26+,27+/m0/s1
- InChIKey
- CWIWYXBNBCTFOK-XVNPQHJWSA-N
- Compound name
- 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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]+ | 611.16068 | 235.3 |
[M+Na]+ | 633.14262 | 239.2 |
[M-H]- | 609.14612 | 230.9 |
[M+NH4]+ | 628.18722 | 236.8 |
[M+K]+ | 649.11656 | 235.5 |
[M+H-H2O]+ | 593.15066 | 228.7 |
[M+HCOO]- | 655.15160 | 238.7 |
[M+CH3COO]- | 669.16725 | 242.8 |
[M+Na-2H]- | 631.12807 | 258.8 |
[M]+ | 610.15285 | 244.5 |
[M]- | 610.15395 | 244.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.