| Properties | Image |
|---|
| MNX_ID | MNXM524104 |
 |
| reference | slm:000485891 |
| formula | C38H67N2O16 |
| global charge | -1 |
| mol weight | 807.952 |
| InChIKey | ROHIVWMHCQQWOT-STFLDSBGSA-M |
| InChI | InChI=1S/C38H68N2O16/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25(44)24(40-29(47)5-2)22-53-36-33(50)35(32(49)28(21-42)54-36)56-38(37(51)52)19-26(45)30(39-23(3)43)34(55-38)31(48)27(46)20-41/h17-18,24-28,30-36,41-42,44-46,48-50H,4-16,19-22H2,1-3H3,(H,39,43)(H,40,47)(H,51,52)/p-1/b18-17+/t24-,25+,26-,27+,28+,30+,31+,32-,33+,34+,35-,36+,38-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)NC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C38H68N2O16/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25(44)24(40-29(47)5-2)22-53-36-33(50)35(32(49)28(21-42)54-36)56-38(37(51)52)19-26(45)30(39-23(3)43)34(55-38)31(48)27(46)20-41/h17-18,24-28,30-36,41-42,44-46,48-50H,4-16,19-22H2,1-3H3,(H,39,43)(H,40,47)(H,51,52)/b18-17+/t24-,25+,26-,27+,28+,30+,31+,32-,33+,34+,35-,36+,38-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:25]([C@H:24]([CH2:22][O:53][C@H:36]1[C@H:33]([OH:50])[C@@H:35]([O:56][C@:38]2([C:37](=[O:51])[OH:52])[CH2:19][C@H:26]([OH:45])[C@@H:30]([N:39]=[C:23]([CH3:3])[OH:43])[C@H:34]([C@@H:31]([C@@H:27]([CH2:20][OH:41])[OH:46])[OH:48])[O:55]2)[C@@H:32]([OH:49])[C@@H:28]([CH2:21][OH:42])[O:54]1)[N:40]=[C:29]([CH2:5][CH3:2])[OH:47])[OH:44] |
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