| Properties | Image |
|---|
| MNX_ID | MNXM738565 |
 |
| reference | biggM:dag_hs |
| formula | C47H68O5 |
| global charge | 0 |
| mol weight | 713.056 |
| InChIKey | XIAZEYRSKHAPND-OQQQIMFUSA-N |
| InChI | InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5?,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35?,38-36-/t45-/m0/s1 |
| SMILES | CCC=CC/C=C\C/C=C\C/C=C\C/C=C\CC=CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5?,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35?,38-36-/t45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C@@H:3]([CH2:4][C:5](=[CH2:6])[CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]/[CH2:17]/[CH:18]=[CH:19]/[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH3:27])[CH2:28][CH2:29][C:30](=[CH2:31])[CH2:32][CH2:33][CH:34]=[CH:35][CH2:36]/[CH:37]=[CH:38]\[CH2:39]/[CH:40]=[CH:41]/[CH2:42]/[CH:43]=[CH:44]\[CH2:45]/[CH:46]=[CH:47]\[O:48][O:49]=[O:50][O:51][OH:52] |
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