| Properties | Image |
|---|
| MNX_ID | MNXM524094 |
 |
| reference | slm:000485837 |
| formula | C69H119N2O16 |
| global charge | -1 |
| mol weight | 1232.709 |
| InChIKey | KCTFXNIDWIUIDM-ZFZSUQMMSA-M |
| InChI | InChI=1S/C69H120N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-60(78)71-55(56(75)48-46-44-42-40-38-36-17-15-13-11-9-7-5-2)53-84-67-64(81)66(63(80)59(52-73)85-67)87-69(68(82)83)50-57(76)61(70-54(3)74)65(86-69)62(79)58(77)51-72/h12,14,18-19,21-22,24-25,27-28,46,48,55-59,61-67,72-73,75-77,79-81H,4-11,13,15-17,20,23,26,29-45,47,49-53H2,1-3H3,(H,70,74)(H,71,78)(H,82,83)/p-1/b14-12-,19-18-,22-21-,25-24-,28-27-,48-46+/t55-,56+,57-,58+,59+,61+,62+,63-,64+,65+,66-,67+,69-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H120N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-60(78)71-55(56(75)48-46-44-42-40-38-36-17-15-13-11-9-7-5-2)53-84-67-64(81)66(63(80)59(52-73)85-67)87-69(68(82)83)50-57(76)61(70-54(3)74)65(86-69)62(79)58(77)51-72/h12,14,18-19,21-22,24-25,27-28,46,48,55-59,61-67,72-73,75-77,79-81H,4-11,13,15-17,20,23,26,29-45,47,49-53H2,1-3H3,(H,70,74)(H,71,78)(H,82,83)/b14-12-,19-18-,22-21-,25-24-,28-27-,48-46+/t55-,56+,57-,58+,59+,61+,62+,63-,64+,65+,66-,67+,69-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:60](=[N:71][C@@H:55]([CH2:53][O:84][C@H:67]1[C@H:64]([OH:81])[C@@H:66]([O:87][C@:69]2([C:68](=[O:82])[OH:83])[CH2:50][C@H:57]([OH:76])[C@@H:61]([N:70]=[C:54]([CH3:3])[OH:74])[C@H:65]([C@@H:62]([C@@H:58]([CH2:51][OH:72])[OH:77])[OH:79])[O:86]2)[C@@H:63]([OH:80])[C@@H:59]([CH2:52][OH:73])[O:85]1)[C@@H:56](/[CH:48]=[CH:46]/[CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:75])[OH:78] |
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