| Properties | Image |
MNX_ID | MNXM137178 |
 |
reference | hmdb:HMDB0052590 |
formula | C59H106O5 |
global charge | 0 |
mol weight | 895.492 |
InChIKey | PFHXLZNTUUZDDZ-VRJULTKJSA-N |
InChI | InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h18,21,25,27-28,31-32,35,41,44,57H,4-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b21-18-,28-25-,31-27-,35-32-,44-41-/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]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][C:59](=[O:61])[O:64][C@H:57]([CH2:55][O:62][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:56][O:63][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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