| Properties | Image |
|---|
| MNX_ID | MNXM32916 |
 |
| reference | chebi:63012 |
| formula | C48H95NO9 |
| global charge | 0 |
| mol weight | 830.286 |
| InChIKey | VYJPNEVPFQSTHX-JXSXMKLYSA-N |
| InChI | InChI=1S/C48H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40-42,44-48,50-51,53-56H,3-39H2,1-2H3,(H,49,52)/t40-,41+,42+,44-,45+,46-,47+,48-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40-42,44-48,50-51,53-56H,3-39H2,1-2H3,(H,49,52)/t40-,41+,42+,44-,45+,46-,47+,48-/m0/s1 |
 |
| 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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:43](=[N:49][C@@H:40]([CH2:39][O:57][C@@H:48]1[C@H:47]([OH:56])[C@@H:46]([OH:55])[C@H:45]([OH:54])[C@@H:42]([CH2:38][OH:50])[O:58]1)[C@@H:44]([C@@H:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:51])[OH:53])[OH:52] |
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