| Properties | Image |
|---|
| MNX_ID | MNXM1558263 |
 |
| reference | lipidmapsM:LMPR01070534 |
| formula | C46H64O6 |
| global charge | 0 |
| mol weight | 713.012 |
| InChIKey | SAMDWZZPFXLYCV-GUYCTAOJSA-N |
| InChI | InChI=1S/C46H64O6/c1-33(18-11-12-19-34(2)21-15-25-37(5)28-29-39-38(6)27-17-30-45(39,7)8)20-13-22-35(3)23-14-24-36(4)26-16-31-46(9,10)52-44-43(50)42(49)41(48)40(32-47)51-44/h11-29,40-44,47-50H,30-32H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,33-18+,34-19+,35-22+,36-24+,37-25+/t40-,41-,42+,43-,44+/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H64O6/c1-33(18-11-12-19-34(2)21-15-25-37(5)28-29-39-38(6)27-17-30-45(39,7)8)20-13-22-35(3)23-14-24-36(4)26-16-31-46(9,10)52-44-43(50)42(49)41(48)40(32-47)51-44/h11-29,40-44,47-50H,30-32H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,33-18+,34-19+,35-22+,36-24+,37-25+/t40-,41-,42+,43-,44+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:33](=[CH:18]\[CH:11]=[CH:12]\[CH:19]=[C:34]([CH3:2])\[CH:21]=[CH:15]\[CH:25]=[C:37]([CH3:5])\[CH:28]=[CH:29]\[C:39]1=[C:38]([CH3:6])[CH:27]=[CH:17][CH2:30][C:45]1([CH3:7])[CH3:8])/[CH:20]=[CH:13]/[CH:22]=[C:35]([CH3:3])/[CH:23]=[CH:14]/[CH:24]=[C:36]([CH3:4])/[CH:26]=[CH:16]/[CH2:31][C:46]([CH3:9])([CH3:10])[O:52][C@H:44]1[C@H:43]([OH:50])[C@@H:42]([OH:49])[C@H:41]([OH:48])[C@@H:40]([CH2:32][OH:47])[O:51]1 |
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