| Properties | Image |
|---|
| MNX_ID | MNXM29999 |
 |
| reference | lipidmapsM:LMPK12010129 |
| formula | C33H41O20 |
| global charge | 1 |
| mol weight | 757.671 |
| InChIKey | SPUXGEXEKQUUMW-HWKLKBEVSA-O |
| InChI | InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(37)5-12(35)6-16(13)49-30(18)11-2-3-14(36)17(4-11)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(O)C=C4)[O+]=C4C=C(O)C=C(O)C4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(37)5-12(35)6-16(13)49-30(18)11-2-3-14(36)17(4-11)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:21]([OH:38])[C@@H:24]([OH:41])[C@@H:27]([OH:44])[C@H:31]([O:47][CH2:9][C@@H:20]2[C@@H:23]([OH:40])[C@H:26]([OH:43])[C@@H:29]([OH:46])[C@H:33]([O:51][C:18]3=[CH:7][C:13]4=[C:15]([O-:37])[CH:5]=[C:12]([OH:35])[CH:6]=[C:16]4[O+:49]=[C:30]3[C:11]3=[CH:4][C:17]([O:50][C@H:32]4[C@H:28]([OH:45])[C@@H:25]([OH:42])[C@H:22]([OH:39])[C@@H:19]([CH2:8][OH:34])[O:52]4)=[C:14]([OH:36])[CH:3]=[CH:2]3)[O:53]2)[O:48]1 |
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