| Properties | Image |
|---|
| MNX_ID | MNXM24523 |
 |
| reference | lipidmapsM:LMPK12010212 |
| formula | C35H41O23 |
| global charge | 1 |
| mol weight | 829.69 |
| InChIKey | LIHFAKVUZYFNPM-HYTDUMOMSA-O |
| InChI | InChI=1S/C35H40O23/c36-8-20-25(45)27(47)30(50)34(56-20)53-12-4-15(38)13-6-19(31(54-18(13)5-12)11-1-2-14(37)16(39)3-11)55-35-32(58-33-29(49)24(44)17(40)9-52-33)28(48)26(46)21(57-35)10-51-23(43)7-22(41)42/h1-6,17,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/p+1/t17-,20-,21-,24+,25-,26-,27+,28+,29-,30-,32-,33+,34-,35-/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C=C3)[O+]=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C3=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H40O23/c36-8-20-25(45)27(47)30(50)34(56-20)53-12-4-15(38)13-6-19(31(54-18(13)5-12)11-1-2-14(37)16(39)3-11)55-35-32(58-33-29(49)24(44)17(40)9-52-33)28(48)26(46)21(57-35)10-51-23(43)7-22(41)42/h1-6,17,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/t17-,20-,21-,24+,25-,26-,27+,28+,29-,30-,32-,33+,34-,35-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:14]([OH:37])=[C:16]([OH:39])[CH:3]=[C:11]1[C:31]1=[C:19]([O:55][C@H:35]2[C@H:32]([O:58][C@H:33]3[C@H:29]([OH:49])[C@@H:24]([OH:44])[C@H:17]([OH:40])[CH2:9][O:52]3)[C@@H:28]([OH:48])[C@H:26]([OH:46])[C@@H:21]([CH2:10][O:51][C:23]([CH2:7][C:22](=[O:41])[O-:42])=[O:43])[O:57]2)[CH:6]=[C:13]2[C:15]([OH:38])=[CH:4][C:12](=[O+:53][C@H:34]3[C@H:30]([OH:50])[C@@H:27]([OH:47])[C@H:25]([OH:45])[C@@H:20]([CH2:8][OH:36])[O:56]3)[CH:5]=[C:18]2[O:54]1 |
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