| Properties | Image |
|---|
| MNX_ID | MNXM744412 |
 |
| reference | biggM:2hatvacidgluc |
| formula | C39H43FN2O12 |
| global charge | 0 |
| mol weight | 750.773 |
| InChIKey | XMAOEXNOMPWGAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H43FN2O12/c1-20(2)31-30(37(50)41-26-10-6-7-11-27(26)45)29(21-8-4-3-5-9-21)32(22-12-14-23(40)15-13-22)42(31)17-16-24(43)18-25(44)19-28(46)53-39-35(49)33(47)34(48)36(54-39)38(51)52/h3-15,20,24-25,33-36,39,43-45,47-49H,16-19H2,1-2H3,(H,41,50)(H,51,52) |
| SMILES | CC(C)C1=C(C(=O)NC2=C(O)C=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)CC(O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H43FN2O12/c1-20(2)31-30(37(50)41-26-10-6-7-11-27(26)45)29(21-8-4-3-5-9-21)32(22-12-14-23(40)15-13-22)42(31)17-16-24(43)18-25(44)19-28(46)53-39-35(49)33(47)34(48)36(54-39)38(51)52/h3-15,20,24-25,33-36,39,43-45,47-49H,16-19H2,1-2H3,(H,41,50)(H,51,52)/t24?,25?,33?,34?,35?,36?,39? |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C:31]1=[C:30]([C:37](=[N:41][C:26]2=[CH:10][CH:6]=[CH:7][CH:11]=[C:27]2[OH:45])[OH:50])[C:29]([C:21]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[C:32]([C:22]2=[CH:13][CH:15]=[C:23]([F:40])[CH:14]=[CH:12]2)[N:42]1[CH2:17][CH2:16][CH:24]([CH2:18][CH:25]([CH2:19][C:28](=[O:46])[O:53][CH:39]1[CH:35]([OH:49])[CH:33]([OH:47])[CH:34]([OH:48])[CH:36]([C:38](=[O:51])[OH:52])[O:54]1)[OH:44])[OH:43] |
|