| Properties | Image |
|---|
| MNX_ID | MNXM136088 |
 |
| reference | hmdb:HMDB0049339 |
| formula | C59H98O6 |
| global charge | 0 |
| mol weight | 903.427 |
| InChIKey | PYXHBFQYKIKFFH-UJHVHZQNSA-N |
| InChI | InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24-26,28,30,32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,22-23,27,29,31,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-,35-32-,39-36-,44-41-/t56-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:32]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:30]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:60])[CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
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