| Properties | Image |
|---|
| MNX_ID | MNXM131607 |
 |
| reference | hmdb:HMDB0042448 |
| formula | C59H98O6 |
| global charge | 0 |
| mol weight | 903.427 |
| InChIKey | CEGGCJHYHROKIE-HGTIWBKYSA-N |
| InChI | InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-27,29,31,33-35,37,41,44,56H,4-6,8-9,11-15,17-18,20-23,28,30,32,36,38-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-/t56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:37]\[CH2:40][CH2:43][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][CH2:21][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:33]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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