CID 171117868
Rhaunoside e
Structural Information
- Molecular Formula
- C31H28O13
- SMILES
- COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=CC=C5)O)O)O
- InChI
- InChI=1S/C31H28O13/c1-40-30-22(13-21-25(27(30)37)19(34)12-20(42-21)16-8-9-17(32)18(33)11-16)43-31-29(39)28(38)26(36)23(44-31)14-41-24(35)10-7-15-5-3-2-4-6-15/h2-13,23,26,28-29,31-33,36-39H,14H2,1H3/b10-7+/t23-,26-,28+,29-,31-/m1/s1
- InChIKey
- ZWOQEVNGJZMMIP-MGJHOZTBSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 609.16028 | 240.5 |
[M+Na]+ | 631.14222 | 243.7 |
[M-H]- | 607.14572 | 248.1 |
[M+NH4]+ | 626.18682 | 235.9 |
[M+K]+ | 647.11616 | 245.7 |
[M+H-H2O]+ | 591.15026 | 227.8 |
[M+HCOO]- | 653.15120 | 246.4 |
[M+CH3COO]- | 667.16685 | 256.3 |
[M+Na-2H]- | 629.12767 | 260.7 |
[M]+ | 608.15245 | 245.2 |
[M]- | 608.15355 | 245.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.