| Properties | Image |
|---|
| MNX_ID | MNXM1584538 |
 |
| reference | vmhM:eztmb_glc
vmhM:eztmb_glc |
| formula | C30H28F2NO9 |
| global charge | -1 |
| mol weight | 584.548 |
| InChIKey | UOFYCFMTERCNEW-XFIIIGTQSA-M |
| InChI | InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/p-1/t21-,22+,23-,24+,25+,26-,27+,30?/m1/s1 |
| SMILES | O=C([O-])[C@H]1OC(Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30?/m1/s1 |
 |
| SMILES (mnx) | [cH:1]1[cH:5][c:17]([F:31])[cH:6][cH:2][c:15]1[C@H:22]([CH2:14][CH2:13][C@@H:21]1[C@@H:23]([c:16]2[cH:3][cH:11][c:20]([O:41][CH:30]3[C@H:26]([OH:37])[C@@H:24]([OH:35])[C@H:25]([OH:36])[C@@H:27]([C:29]([OH:39])=[O:40])[O:42]3)[cH:12][cH:4]2)[N:33]([c:19]2[cH:9][cH:7][c:18]([F:32])[cH:8][cH:10]2)[C:28]1=[O:38])[OH:34] |
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