| Properties | Image |
|---|
| MNX_ID | MNXM38465 |
 |
| reference | lipidmapsM:LMPK12110996 |
| formula | C33H40O19 |
| global charge | 0 |
| mol weight | 740.664 |
| InChIKey | RAMKCCYIHFXTGJ-DTMGIHIVSA-N |
| InChI | InChI=1S/C33H40O19/c1-47-28-18(30-26(45)24(43)21(40)15(7-34)50-30)23(42)17-12(37)6-14(10-2-4-11(36)5-3-10)49-29(17)19(28)31-32(25(44)22(41)16(8-35)51-31)52-33-27(46)20(39)13(38)9-48-33/h2-6,13,15-16,20-22,24-27,30-36,38-46H,7-9H2,1H3/t13-,15-,16-,20+,21-,22-,24+,25+,26-,27-,30+,31+,32-,33+/m1/s1 |
| SMILES | COC1=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C2=C(C(=O)C=C(C3=CC=C(O)C=C3)O2)C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O19/c1-47-28-18(30-26(45)24(43)21(40)15(7-34)50-30)23(42)17-12(37)6-14(10-2-4-11(36)5-3-10)49-29(17)19(28)31-32(25(44)22(41)16(8-35)51-31)52-33-27(46)20(39)13(38)9-48-33/h2-6,13,15-16,20-22,24-27,30-36,38-46H,7-9H2,1H3/t13-,15-,16-,20+,21-,22-,24+,25+,26-,27-,30+,31+,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:47][C:28]1=[C:18]([C@H:30]2[C@H:26]([OH:45])[C@@H:24]([OH:43])[C@H:21]([OH:40])[C@@H:15]([CH2:7][OH:34])[O:50]2)[C:23]([OH:42])=[C:17]2[C:12](=[O:37])[CH:6]=[C:14]([C:10]3=[CH:3][CH:5]=[C:11]([OH:36])[CH:4]=[CH:2]3)[O:49][C:29]2=[C:19]1[C@H:31]1[C@H:32]([O:52][C@H:33]2[C@H:27]([OH:46])[C@@H:20]([OH:39])[C@H:13]([OH:38])[CH2:9][O:48]2)[C@@H:25]([OH:44])[C@H:22]([OH:41])[C@@H:16]([CH2:8][OH:35])[O:51]1 |
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