| Properties | Image |
|---|
| MNX_ID | MNXM1372144 |
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| reference | chebi:31870 |
| formula | C44H69N5O10 |
| global charge | 0 |
| mol weight | 828.061 |
| InChIKey | DQMISKWZRFJSGS-OGLMXYFKSA-N |
| InChI | InChI=1S/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+ |
| SMILES | CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCCC(NC(=O)C1COC(C2=CC=CC=C2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+/t33?,35?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][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]/[CH:17]=[CH:28]/[C:40]([N:48]([CH2:29][CH2:22][CH2:21][CH2:26][CH:36]([C:44](=[O:55])[O:59][CH:33]([CH3:2])[CH2:31][C:39](=[N:45][CH:35]1[CH2:25][CH2:20][CH2:23][CH2:30][N:49]([OH:57])[C:43]1=[O:54])[OH:51])[N:46]=[C:41]([CH:37]1[CH2:32][O:58][C:42]([C:34]2=[CH:24][CH:18]=[CH:19][CH:27]=[C:38]2[OH:50])=[N:47]1)[OH:53])[OH:56])=[O:52] |
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