| Properties | Image | with InChI numbering | Occurences in reactions |
|---|
| MNX_ID | MNXM1371150 |
 |
 |
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|
| formula | C28H28O15 |
| charge | 0 |
| mass | 604.517 |
| reference | seedM:cpd35936 |
| InChIKey | VHIFHPVDOCVUKL-KDKAVYSQSA-N |
| InChI | InChI=1S/C28H28O15/c1-8-15-10(6-12(16(8)25(37)41-4)43-26-21(33)20(32)18(30)9(2)42-26)5-11-17(19(15)31)24(36)27(38)14(29)7-13(40-3)23(35)28(27,39)22(11)34/h5-6,9,13,18,20-21,26,30-33,38-39H,7H2,1-4H3/t9-,13?,18-,20+,21+,26-,27+,28+/m0/s1 |
| SMILES | [CH3:1][c:8]1[c:15]2[c:10]([cH:5][c:11]3[c:17]([c:19]2[OH:31])[C:24](=[O:36])[C@:27]2([OH:38])[C:14](=[O:29])[CH2:7][CH:13]([O:40][CH3:3])[C:23](=[O:35])[C@:28]2([OH:39])[C:22]3=[O:34])[cH:6][c:12]([O:43][C@H:26]2[C@H:21]([OH:33])[C@H:20]([OH:32])[C@@H:18]([OH:30])[C@H:9]([CH3:2])[O:42]2)[c:16]1[C:25](=[O:37])[O:41][CH3:4] |
|
