| Properties | Image |
|---|
| MNX_ID | MNXM1065657 |
 |
| reference | slm:000758766 |
| formula | C80H144N2O24 |
| global charge | 0 |
| mol weight | 1518.022 |
| InChIKey | KZROFHBXFBSVJZ-LHYWJCQSSA-N |
| InChI | InChI=1S/C80H144N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-63(89)82-57(65(90)58(88)49-47-45-43-41-39-17-15-13-11-9-7-5-2)55-99-78-72(97)69(94)75(61(53-85)102-78)105-80-73(98)70(95)74(62(54-86)103-80)104-77-64(81-56(3)87)76(67(92)60(52-84)100-77)106-79-71(96)68(93)66(91)59(51-83)101-79/h12,14,18-19,21-22,24-25,57-62,64-80,83-86,88,90-98H,4-11,13,15-17,20,23,26-55H2,1-3H3,(H,81,87)(H,82,89)/b14-12-,19-18-,22-21-,25-24-/t57-,58+,59+,60+,61+,62+,64+,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77-,78+,79-,80-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H144N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-63(89)82-57(65(90)58(88)49-47-45-43-41-39-17-15-13-11-9-7-5-2)55-99-78-72(97)69(94)75(61(53-85)102-78)105-80-73(98)70(95)74(62(54-86)103-80)104-77-64(81-56(3)87)76(67(92)60(52-84)100-77)106-79-71(96)68(93)66(91)59(51-83)101-79/h12,14,18-19,21-22,24-25,57-62,64-80,83-86,88,90-98H,4-11,13,15-17,20,23,26-55H2,1-3H3,(H,81,87)(H,82,89)/b14-12-,19-18-,22-21-,25-24-/t57-,58+,59+,60+,61+,62+,64+,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77-,78+,79-,80-/m0/s1 |
 |
| 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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:63](=[N:82][C@@H:57]([CH2:55][O:99][C@H:78]1[C@H:72]([OH:97])[C@@H:69]([OH:94])[C@H:75]([O:105][C@H:80]2[C@H:73]([OH:98])[C@@H:70]([OH:95])[C@@H:74]([O:104][C@H:77]3[C@H:64]([N:81]=[C:56]([CH3:3])[OH:87])[C@@H:76]([O:106][C@H:79]4[C@H:71]([OH:96])[C@@H:68]([OH:93])[C@@H:66]([OH:91])[C@@H:59]([CH2:51][OH:83])[O:101]4)[C@@H:67]([OH:92])[C@@H:60]([CH2:52][OH:84])[O:100]3)[C@@H:62]([CH2:54][OH:86])[O:103]2)[C@@H:61]([CH2:53][OH:85])[O:102]1)[C@@H:65]([C@@H:58]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:88])[OH:90])[OH:89] |
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