CID 131751542
Lippioside ii
Structural Information
- Molecular Formula
- C25H30O14
- SMILES
- CC1(C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O)O
- InChI
- InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+
- InChIKey
- YHZBVXGYEGLXCQ-HWKANZROSA-N
- Compound name
- 1-[6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 555.17088 | 220.9 |
[M+Na]+ | 577.15282 | 223.3 |
[M-H]- | 553.15632 | 217.9 |
[M+NH4]+ | 572.19742 | 221.9 |
[M+K]+ | 593.12676 | 222.1 |
[M+H-H2O]+ | 537.16086 | 210.0 |
[M+HCOO]- | 599.16180 | 224.1 |
[M+CH3COO]- | 613.17745 | 242.1 |
[M+Na-2H]- | 575.13827 | 240.1 |
[M]+ | 554.16305 | 226.5 |
[M]- | 554.16415 | 226.5 |