| Properties | Image |
|---|
| MNX_ID | MNXM24804 |
 |
| reference | lipidmapsM:LMPK12010259 |
| formula | C33H41O19 |
| global charge | 1 |
| mol weight | 741.672 |
| InChIKey | QPRUMSQUWSXDAQ-YLVMUWPDSA-O |
| InChI | InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(48-11)47-10-21-24(40)26(42)30(52-32-27(43)23(39)17(37)9-46-32)33(51-21)50-20-8-14-16(36)6-13(34)7-18(14)49-29(20)12-3-4-15(35)19(5-12)45-2/h3-8,11,17,21-28,30-33,37-44H,9-10H2,1-2H3,(H2-,34,35,36)/p+1/t11-,17+,21+,22-,23-,24+,25+,26-,27+,28+,30+,31+,32-,33+/m0/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O)=CC(O)=CC3=[O+]2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O19/c1-11-22(38)25(41)28(44)31(48-11)47-10-21-24(40)26(42)30(52-32-27(43)23(39)17(37)9-46-32)33(51-21)50-20-8-14-16(36)6-13(34)7-18(14)49-29(20)12-3-4-15(35)19(5-12)45-2/h3-8,11,17,21-28,30-33,37-44H,9-10H2,1-2H3,(H2-,34,35,36)/t11-,17+,21+,22-,23-,24+,25+,26-,27+,28+,30+,31+,32-,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:22]([OH:38])[C@@H:25]([OH:41])[C@@H:28]([OH:44])[C@H:31]([O:47][CH2:10][C@@H:21]2[C@@H:24]([OH:40])[C@H:26]([OH:42])[C@@H:30]([O:52][C@H:32]3[C@H:27]([OH:43])[C@@H:23]([OH:39])[C@H:17]([OH:37])[CH2:9][O:46]3)[C@H:33]([O:50][C:20]3=[CH:8][C:14]4=[C:16]([O-:36])[CH:6]=[C:13]([OH:34])[CH:7]=[C:18]4[O+:49]=[C:29]3[C:12]3=[CH:5][C:19]([O:45][CH3:2])=[C:15]([OH:35])[CH:4]=[CH:3]3)[O:51]2)[O:48]1 |
|