| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM1377833 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 12 |
in models (compartimentalized) |
0 |
|
formula | C27H30O16 |
charge | 0 |
mass | 610.521 |
reference | seedM:cpd05546 |
InChIKey | MVCZYIINCNBXDB-ZOTFFYTFSA-N |
InChI | InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,31-38H,7-8H2/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 |
SMILES | [cH:1]1[cH:2][c:12]([OH:31])[c:13]([OH:32])[cH:3][c:9]1-[c:25]1[c:16]([O:41][C@H:27]2[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:18]([CH2:8][OH:29])[O:43]2)[cH:6][c:11]2[c:15]([O:40][C@H:26]3[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:17]([CH2:7][OH:28])[O:42]3)[cH:5][c:10](=[O:30])[cH:4][c:14]-2[o:39]1 |
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