| Properties | Image |
|---|
| MNX_ID | MNXM42340 |
 |
| reference | lipidmapsM:LMPK12110380 |
| formula | C39H32O14 |
| global charge | 0 |
| mol weight | 724.671 |
| InChIKey | LHMKSPOTCLVAKR-AVMIHGAISA-N |
| InChI | InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37-,38+,39-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37-,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:9][C:24]([OH:40])=[CH:10][CH:2]=[C:21]1/[CH:5]=[CH:15]/[C:33](=[O:45])[O:49][CH2:20][C@@H:32]1[C@@H:36]([OH:47])[C@H:38]([O:53][C:34](/[CH:16]=[CH:6]/[C:22]2=[CH:4][CH:12]=[C:25]([OH:41])[CH:11]=[CH:3]2)=[O:46])[C@@H:37]([OH:48])[C@H:39]([O:50][C:27]2=[CH:17][C:28]([OH:43])=[C:35]3[C:29](=[O:44])[CH:19]=[C:30]([C:23]4=[CH:8][CH:14]=[C:26]([OH:42])[CH:13]=[CH:7]4)[O:51][C:31]3=[CH:18]2)[O:52]1 |
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