| Properties | Image | Occurences in reactions |
MNX_ID | MNXM114519 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|
formula | C32H30O15 |
charge | 0 |
mass | 654.15847 |
reference | metacycM:CPD-14981 |
InChIKey | ZMFSDFSWZVXOBB-OPULMQKPSA-N |
InChI | InChI=1S/C32H30O15/c1-42-20-9-14(3-6-17(20)34)4-8-24(37)44-13-23-26(38)28(40)29(41)32(46-23)47-31-27(39)25-19(36)11-16(33)12-22(25)45-30(31)15-5-7-18(35)21(10-15)43-2/h3-12,23,26,28-29,32-36,38,40-41H,13H2,1-2H3/b8-4+/t23-,26-,28+,29-,32+/m1/s1 |
SMILES | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(OC)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
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