| Properties | Image |
|---|
| MNX_ID | MNXM1056705 |
 |
| reference | slm:000749244 |
| formula | C74H132N3O36 |
| global charge | -1 |
| mol weight | 1639.855 |
| InChIKey | SMFCPRSJOUJJPP-HJQFNTMFSA-M |
| InChI | InChI=1S/C74H133N3O36/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-41(86)40(77-49(89)28-25-22-19-16-17-20-23-26-37(2)3)36-102-69-58(96)56(94)62(47(34-82)106-69)108-70-59(97)57(95)63(48(35-83)107-70)109-71-60(98)66(54(92)45(32-80)104-71)111-68-51(76-39(5)85)64(53(91)44(31-79)103-68)110-72-61(99)67(55(93)46(33-81)105-72)113-74(73(100)101)29-42(87)50(75-38(4)84)65(112-74)52(90)43(88)30-78/h37,40-48,50-72,78-83,86-88,90-99H,6-36H2,1-5H3,(H,75,84)(H,76,85)(H,77,89)(H,100,101)/p-1/t40-,41+,42-,43+,44+,45+,46+,47+,48+,50+,51+,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64+,65+,66-,67-,68-,69+,70-,71+,72-,74-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C74H133N3O36/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-41(86)40(77-49(89)28-25-22-19-16-17-20-23-26-37(2)3)36-102-69-58(96)56(94)62(47(34-82)106-69)108-70-59(97)57(95)63(48(35-83)107-70)109-71-60(98)66(54(92)45(32-80)104-71)111-68-51(76-39(5)85)64(53(91)44(31-79)103-68)110-72-61(99)67(55(93)46(33-81)105-72)113-74(73(100)101)29-42(87)50(75-38(4)84)65(112-74)52(90)43(88)30-78/h37,40-48,50-72,78-83,86-88,90-99H,6-36H2,1-5H3,(H,75,84)(H,76,85)(H,77,89)(H,100,101)/t40-,41+,42-,43+,44+,45+,46+,47+,48+,50+,51+,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64+,65+,66-,67-,68-,69+,70-,71+,72-,74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][C@H:41]([C@H:40]([CH2:36][O:102][C@H:69]1[C@H:58]([OH:96])[C@@H:56]([OH:94])[C@H:62]([O:108][C@H:70]2[C@H:59]([OH:97])[C@@H:57]([OH:95])[C@@H:63]([O:109][C@@H:71]3[C@H:60]([OH:98])[C@@H:66]([O:111][C@H:68]4[C@H:51]([N:76]=[C:39]([CH3:5])[OH:85])[C@@H:64]([O:110][C@H:72]5[C@H:61]([OH:99])[C@@H:67]([O:113][C@:74]6([C:73](=[O:100])[OH:101])[CH2:29][C@H:42]([OH:87])[C@@H:50]([N:75]=[C:38]([CH3:4])[OH:84])[C@H:65]([C@@H:52]([C@@H:43]([CH2:30][OH:78])[OH:88])[OH:90])[O:112]6)[C@@H:55]([OH:93])[C@@H:46]([CH2:33][OH:81])[O:105]5)[C@@H:53]([OH:91])[C@@H:44]([CH2:31][OH:79])[O:103]4)[C@@H:54]([OH:92])[C@@H:45]([CH2:32][OH:80])[O:104]3)[C@@H:48]([CH2:35][OH:83])[O:107]2)[C@@H:47]([CH2:34][OH:82])[O:106]1)[N:77]=[C:49]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH:37]([CH3:2])[CH3:3])[OH:89])[OH:86] |
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