| Properties | Image |
|---|
| MNX_ID | MNXM29790 |
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| reference | glycosphingo:FMCOVBMOIIIXLX_RXHBXBEVSA_N |
| formula | C63H117NO21 |
| global charge | 0 |
| mol weight | 1224.615 |
| InChIKey | FMCOVBMOIIIXLX-RXHBXBEVSA-N |
| InChI | InChI=1S/C63H117NO21/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-50(71)64-44(45(68)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)43-80-60-55(76)54(75)57(49(42-67)82-60)83-61-56(77)59(53(74)48(41-66)81-61)85-63(62(78)79)39-46(69)51(72)58(84-63)52(73)47(70)40-65/h35,37,44-49,51-61,65-70,72-77H,3-34,36,38-43H2,1-2H3,(H,64,71)(H,78,79)/b37-35+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58+,59-,60+,61-,63-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H117NO21/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-50(71)64-44(45(68)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)43-80-60-55(76)54(75)57(49(42-67)82-60)83-61-56(77)59(53(74)48(41-66)81-61)85-63(62(78)79)39-46(69)51(72)58(84-63)52(73)47(70)40-65/h35,37,44-49,51-61,65-70,72-77H,3-34,36,38-43H2,1-2H3,(H,64,71)(H,78,79)/b37-35+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58+,59-,60+,61-,63-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:50](=[N:64][C@@H:44]([CH2:43][O:80][C@H:60]1[C@H:55]([OH:76])[C@@H:54]([OH:75])[C@H:57]([O:83][C@H:61]2[C@H:56]([OH:77])[C@@H:59]([O:85][C@:63]3([C:62](=[O:78])[OH:79])[CH2:39][C@H:46]([OH:69])[C@@H:51]([OH:72])[C@H:58]([C@@H:52]([C@@H:47]([CH2:40][OH:65])[OH:70])[OH:73])[O:84]3)[C@@H:53]([OH:74])[C@@H:48]([CH2:41][OH:66])[O:81]2)[C@@H:49]([CH2:42][OH:67])[O:82]1)[C@@H:45](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:68])[OH:71] |
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