| Properties | Image |
|---|
| MNX_ID | MNXM42365 |
 |
| reference | lipidmapsM:LMPK12110395 |
| formula | C33H40O20 |
| global charge | 0 |
| mol weight | 756.663 |
| InChIKey | NVYCRSROJRTVQP-TZFWSYDESA-N |
| InChI | InChI=1S/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([O:47][C@H:31]2[C@H:27]([OH:44])[C@@H:24]([OH:41])[C@H:22]([OH:39])[C@@H:18]([CH2:8][OH:34])[O:50]2)=[CH:4][CH:2]=[C:11]1[C:16]1=[CH:7][C:15](=[O:38])[C:21]2=[C:14]([OH:37])[CH:5]=[C:13]([O:48][C@H:32]3[C@H:29]([OH:46])[C@@H:26]([OH:43])[C@H:30]([O:53][C@H:33]4[C@H:28]([OH:45])[C@@H:25]([OH:42])[C@H:23]([OH:40])[C@@H:19]([CH2:9][OH:35])[O:51]4)[C@@H:20]([CH2:10][OH:36])[O:52]3)[CH:6]=[C:17]2[O:49]1 |
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