| Properties | Image |
|---|
| MNX_ID | MNXM25220 |
 |
| reference | lipidmapsM:LMPK12111021 |
| formula | C27H30O13 |
| global charge | 0 |
| mol weight | 562.524 |
| InChIKey | TYUPOCDEQAAAMI-MTJCVMJLSA-N |
| InChI | InChI=1S/C27H30O13/c1-36-11-5-3-10(4-6-11)15-7-12(28)16-21(33)17(26-22(34)19(31)13(29)8-38-26)24(37-2)18(25(16)40-15)27-23(35)20(32)14(30)9-39-27/h3-7,13-14,19-20,22-23,26-27,29-35H,8-9H2,1-2H3/t13-,14-,19-,20-,22+,23+,26-,27-/m0/s1 |
| SMILES | COC1=CC=C(C2=CC(=O)C3=C(O2)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C(OC)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C3O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O13/c1-36-11-5-3-10(4-6-11)15-7-12(28)16-21(33)17(26-22(34)19(31)13(29)8-38-26)24(37-2)18(25(16)40-15)27-23(35)20(32)14(30)9-39-27/h3-7,13-14,19-20,22-23,26-27,29-35H,8-9H2,1-2H3/t13-,14-,19-,20-,22+,23+,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:11]1=[CH:6][CH:4]=[C:10]([C:15]2=[CH:7][C:12](=[O:28])[C:16]3=[C:21]([OH:33])[C:17]([C@H:26]4[C@H:22]([OH:34])[C@@H:19]([OH:31])[C@@H:13]([OH:29])[CH2:8][O:38]4)=[C:24]([O:37][CH3:2])[C:18]([C@H:27]4[C@H:23]([OH:35])[C@@H:20]([OH:32])[C@@H:14]([OH:30])[CH2:9][O:39]4)=[C:25]3[O:40]2)[CH:3]=[CH:5]1 |
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