| Properties | Image | Occurences in reactions |
MNX_ID | MNXM114449 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 4 |
in models (compartimentalized) |
0 |
|
formula | C25H28O13 |
charge | 0 |
mass | 536.486 |
reference | seedM:cpd34150 |
InChIKey | PMAJLEYACVZCSG-KHFODKEQSA-N |
InChI | InChI=1S/C25H28O13/c1-32-10-7-12(27)16-14(8-10)36-22(24(35-4)18(16)29)11-5-6-13(33-2)23(34-3)21(11)38-25-20(31)19(30)17(28)15(9-26)37-25/h5-8,15,17,19-20,25-28,30-31H,9H2,1-4H3/t15-,17-,19+,20-,25+/m1/s1 |
SMILES | [CH3:1][O:32][c:10]1[cH:7][c:12]([OH:27])[c:16]2[c:14]([cH:8]1)[o:36][c:22](-[c:11]1[cH:5][cH:6][c:13]([O:33][CH3:2])[c:23]([O:34][CH3:3])[c:21]1[O:38][C@H:25]1[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:17]([OH:28])[C@@H:15]([CH2:9][OH:26])[O:37]1)[c:24]([O:35][CH3:4])[c:18]2=[O:29] |
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