| Properties | Image |
|---|
| MNX_ID | MNXM137602 |
 |
| reference | hmdb:HMDB0053022 |
| formula | C61H98O6 |
| global charge | 0 |
| mol weight | 927.449 |
| InChIKey | OJIRFPBXFIKNEQ-KDHGPNRESA-N |
| InChI | InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-/t58-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-29,32-34,36-38,41,43,46,58H,4-6,8-9,11-15,17,20,22-24,30-31,35,39-40,42,44-45,47-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,46-43-/t58-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:32]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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