| Properties | Image |
|---|
| MNX_ID | MNXM7980 |
 |
| reference | metacycM:CPD-8076 |
| formula | C43H74O10 |
| global charge | 0 |
| mol weight | 751.055 |
| InChIKey | SYSPLJXKZRPIPM-LWNBRHQXSA-N |
| InChI | InChI=1S/C43H74O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,22,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,20-21,23-35H2,1-2H3/b7-5-,13-11-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H74O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,22,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,20-21,23-35H2,1-2H3/b7-5-,13-11-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:45])[O:50][CH2:34][C@H:36]([CH2:35][O:51][C@H:43]1[C@H:42]([OH:49])[C@@H:41]([OH:48])[C@@H:40]([OH:47])[C@@H:37]([CH2:33][OH:44])[O:53]1)[O:52][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:19]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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