| Properties | Image |
|---|
| MNX_ID | MNXM23975 |
 |
| reference | lipidmapsM:LMPK12140374 |
| formula | C26H30O15 |
| global charge | 0 |
| mol weight | 582.511 |
| InChIKey | XOJWEJLMDBNZEF-LNBNUCKTSA-N |
| InChI | InChI=1S/C26H30O15/c27-7-17-20(32)23(35)25(40-17)37-8-18-21(33)22(34)24(36)26(41-18)38-10-4-13(30)19-14(31)6-15(39-16(19)5-10)9-1-2-11(28)12(29)3-9/h1-5,15,17-18,20-30,32-36H,6-8H2/t15?,17-,18+,20-,21+,22-,23+,24+,25+,26+/m0/s1 |
| SMILES | O=C1CC(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C26H30O15/c27-7-17-20(32)23(35)25(40-17)37-8-18-21(33)22(34)24(36)26(41-18)38-10-4-13(30)19-14(31)6-15(39-16(19)5-10)9-1-2-11(28)12(29)3-9/h1-5,15,17-18,20-30,32-36H,6-8H2/t15?,17-,18+,20-,21+,22-,23+,24+,25+,26+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:28])=[C:12]([OH:29])[CH:3]=[C:9]1[CH:15]1[CH2:6][C:14](=[O:31])[C:19]2=[C:13]([OH:30])[CH:4]=[C:10]([O:38][C@H:26]3[C@H:24]([OH:36])[C@@H:22]([OH:34])[C@H:21]([OH:33])[C@@H:18]([CH2:8][O:37][C@H:25]4[C@H:23]([OH:35])[C@@H:20]([OH:32])[C@H:17]([CH2:7][OH:27])[O:40]4)[O:41]3)[CH:5]=[C:16]2[O:39]1 |
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