| Properties | Image |
|---|
| MNX_ID | MNXM113398 |
 |
| reference | lipidmapsM:LMGL03016809 |
| formula | C65H112O6 |
| global charge | 0 |
| mol weight | 989.605 |
| InChIKey | MYIZRLTZONUJPX-UPTSKNCPSA-N |
| InChI | InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-32,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,33-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,32-31-,41-38-,50-47-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-32,38,41,47,50,62H,4-8,10-11,13-17,19-20,22-25,28,33-37,39-40,42-46,48-49,51-61H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,32-31-,41-38-,50-47-/t62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28]/[CH:31]=[CH:32]\[CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:68] |
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