| Properties | Image |
|---|
| MNX_ID | MNXM106889 |
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| reference | chebi:71145 |
| formula | C50H97NO9 |
| global charge | 0 |
| mol weight | 856.324 |
| InChIKey | RYTIATPQKVAZQN-WXOZRDECSA-N |
| InChI | InChI=1S/C50H97NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(54)49(58)51-42(40-59-50-48(57)47(56)46(55)45(39-52)60-50)43(53)37-34-31-28-26-23-24-27-30-33-36-41(2)3/h34,37,41-48,50,52-57H,4-33,35-36,38-40H2,1-3H3,(H,51,58)/b37-34+/t42-,43+,44?,45+,46+,47-,48+,50+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H97NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(54)49(58)51-42(40-59-50-48(57)47(56)46(55)45(39-52)60-50)43(53)37-34-31-28-26-23-24-27-30-33-36-41(2)3/h34,37,41-48,50,52-57H,4-33,35-36,38-40H2,1-3H3,(H,51,58)/b37-34+/t42-,43+,44?,45+,46+,47-,48+,50+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:29][CH2:32][CH2:35][CH2:38][CH:44]([C:49](=[N:51][C@@H:42]([CH2:40][O:59][C@H:50]1[C@H:48]([OH:57])[C@@H:47]([OH:56])[C@H:46]([OH:55])[C@@H:45]([CH2:39][OH:52])[O:60]1)[C@@H:43](/[CH:37]=[CH:34]/[CH2:31][CH2:28][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])[OH:53])[OH:58])[OH:54] |
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