| Properties | Image |
|---|
| MNX_ID | MNXM134727 |
 |
| reference | hmdb:HMDB0048835 |
| formula | C59H98O6 |
| global charge | 0 |
| mol weight | 903.427 |
| InChIKey | PYXZPSAQTOZYEM-YECSKOGBSA-N |
| InChI | InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31-32,34-35,40-41,43-44,56H,4-16,18-19,22-23,29-30,33,36-39,42,45-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-/t56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:35]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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