| Properties | Image |
|---|
| MNX_ID | MNXM1063429 |
 |
| reference | slm:000756069 |
| formula | C67H126N2O24 |
| global charge | 0 |
| mol weight | 1343.735 |
| InChIKey | NWFKKBHIKOKVLW-PWVABLNXSA-N |
| InChI | InChI=1S/C67H126N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-50(76)69-44(52(77)45(75)36-34-32-30-28-26-17-15-13-11-9-7-5-2)42-86-65-58(83)57(82)61(49(41-73)90-65)91-66-60(85)63(55(80)48(40-72)88-66)93-67-59(84)62(54(79)47(39-71)89-67)92-64-51(68-43(3)74)56(81)53(78)46(38-70)87-64/h44-49,51-67,70-73,75,77-85H,4-42H2,1-3H3,(H,68,74)(H,69,76)/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66-,67+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[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]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H126N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-50(76)69-44(52(77)45(75)36-34-32-30-28-26-17-15-13-11-9-7-5-2)42-86-65-58(83)57(82)61(49(41-73)90-65)91-66-60(85)63(55(80)48(40-72)88-66)93-67-59(84)62(54(79)47(39-71)89-67)92-64-51(68-43(3)74)56(81)53(78)46(38-70)87-64/h44-49,51-67,70-73,75,77-85H,4-42H2,1-3H3,(H,68,74)(H,69,76)/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66-,67+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:50](=[N:69][C@@H:44]([CH2:42][O:86][C@H:65]1[C@H:58]([OH:83])[C@@H:57]([OH:82])[C@H:61]([O:91][C@H:66]2[C@H:60]([OH:85])[C@@H:63]([O:93][C@@H:67]3[C@H:59]([OH:84])[C@@H:62]([O:92][C@H:64]4[C@H:51]([N:68]=[C:43]([CH3:3])[OH:74])[C@@H:56]([OH:81])[C@@H:53]([OH:78])[C@@H:46]([CH2:38][OH:70])[O:87]4)[C@@H:54]([OH:79])[C@@H:47]([CH2:39][OH:71])[O:89]3)[C@@H:55]([OH:80])[C@@H:48]([CH2:40][OH:72])[O:88]2)[C@@H:49]([CH2:41][OH:73])[O:90]1)[C@@H:52]([C@@H:45]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:75])[OH:77])[OH:76] |
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