| SpectraBase Spectrum ID |
F0ZeWR2QE81 |
| Name |
7-o-.beta.-D-Acetylglucoside-methoxyisoflavone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
598.168641013 u |
| Formula |
C30H30O13 |
| InChI |
InChI=1S/C30H30O13/c1-15(31)37-14-25-27(39-16(2)32)28(40-17(3)33)29(41-18(4)34)30(43-25)42-21-10-11-22-24(12-21)38-13-23(26(22)35)19-6-8-20(36-5)9-7-19/h6-13,25,27-30H,14H2,1-5H3/t25-,27?,28-,29-,30-/m1/s1 |
| InChIKey |
FTCLAIAXKAGMBI-RYIQDBBLSA-N |
| Molecular Weight |
598.557 g/mol |
| SMILES |
[C@@]1([C@@](C(OC(=O)C)[C@](O[C@]1(OC=1C=C2OC=C(C(C2=CC1)=O)C=1C=CC(=CC1)OC)[H])(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
