| Properties | Image |
|---|
| MNX_ID | MNXM161431 |
 |
| reference | keggD:D06653 |
| formula | C50H76N4O12 |
| global charge | 0 |
| mol weight | 925.174 |
| InChIKey | AZPYPAVFNGFTGB-VQYXCCSOSA-N |
| InChI | InChI=1S/2C19H32N2.3C4H4O4/c2*1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16;3*5-3(6)1-2-4(7)8/h2*15-18H,1-14H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+ |
| SMILES | C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1.C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/2C19H32N2.3C4H4O4/c2*1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16;3*5-3(6)1-2-4(7)8/h2*15-18H,1-14H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*17?,18?;;; |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH2:8][C:19]2([CH2:7]1)[CH:17]1[CH2:11][N:20]([CH2:9][CH:15]3[CH2:3][CH2:4]3)[CH2:12][CH:18]2[CH2:14][N:21]([CH2:10][CH:16]2[CH2:5][CH2:6]2)[CH2:13]1.[CH2:22]1[CH2:23][CH2:29][C:40]2([CH2:28]1)[CH:38]1[CH2:32][N:41]([CH2:30][CH:36]3[CH2:24][CH2:25]3)[CH2:33][CH:39]2[CH2:35][N:42]([CH2:31][CH:37]2[CH2:26][CH2:27]2)[CH2:34]1.[CH:43](=[CH:44]/[C:46](=[O:49])[OH:50])\[C:45](=[O:47])[OH:48].[CH:51](=[CH:52]/[C:54](=[O:57])[OH:58])\[C:53](=[O:55])[OH:56].[CH:59](=[CH:60]/[C:62](=[O:65])[OH:66])\[C:61](=[O:63])[OH:64] |
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