| Properties | Image |
|---|
| MNX_ID | MNXM112061 |
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| reference | lipidmapsM:LMGL03015656 |
| formula | C60H106O6 |
| global charge | 0 |
| mol weight | 923.502 |
| InChIKey | BPHUXTIKEWAITP-JNWHZOMHSA-N |
| InChI | InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17-18,20-21,26,28-30,34,36,57H,4-16,19,22-25,27,31-33,35,37-56H2,1-3H3/b20-17-,21-18-,28-26-,30-29-,36-34-/t57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17-18,20-21,26,28-30,34,36,57H,4-16,19,22-25,27,31-33,35,37-56H2,1-3H3/b20-17-,21-18-,28-26-,30-29-,36-34-/t57-/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][CH2:27]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:34]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63] |
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