| Properties | Image |
|---|
| MNX_ID | MNXM152041 |
 |
| reference | chebi:83560 |
| formula | C45H87NO10 |
| global charge | 0 |
| mol weight | 802.188 |
| InChIKey | UCKDWANVYDOPEV-SVYNEFFASA-N |
| InChI | InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(47)36(35-55-45-41(51)39(49)40(50)42(56-45)44(53)54)46-43(52)38(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-42,45,47-51H,3-35H2,1-2H3,(H,46,52)(H,53,54)/t36-,37+,38+,39-,40-,41+,42-,45-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H87NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(47)36(35-55-45-41(51)39(49)40(50)42(56-45)44(53)54)46-43(52)38(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-42,45,47-51H,3-35H2,1-2H3,(H,46,52)(H,53,54)/t36-,37+,38+,39-,40-,41+,42-,45-/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][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C@H:37]([C@H:36]([CH2:35][O:55][C@@H:45]1[C@H:41]([OH:51])[C@@H:39]([OH:49])[C@H:40]([OH:50])[C@@H:42]([C:44](=[O:53])[OH:54])[O:56]1)[N:46]=[C:43]([C@@H:38]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:48])[OH:52])[OH:47] |
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