| Properties | Image |
|---|
| MNX_ID | MNXM54195 |
 |
| reference | lipidmapsM:LMPK12111630 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | AWCXRDFBKSQPEQ-JFVHAOBPSA-N |
| InChI | InChI=1S/C27H30O14/c1-10-17(30)20(33)22(35)26(38-10)37-9-15-18(31)21(34)23(36)27(40-15)41-25-19(32)16-13(29)7-12(28)8-14(16)39-24(25)11-5-3-2-4-6-11/h2-8,10,15,17-18,20-23,26-31,33-36H,9H2,1H3/t10-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=CC=C4)OC4=C(C3=O)C(O)=CC(O)=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O14/c1-10-17(30)20(33)22(35)26(38-10)37-9-15-18(31)21(34)23(36)27(40-15)41-25-19(32)16-13(29)7-12(28)8-14(16)39-24(25)11-5-3-2-4-6-11/h2-8,10,15,17-18,20-23,26-31,33-36H,9H2,1H3/t10-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:17]([OH:30])[C@@H:20]([OH:33])[C@@H:22]([OH:35])[C@H:26]([O:37][CH2:9][C@@H:15]2[C@@H:18]([OH:31])[C@H:21]([OH:34])[C@@H:23]([OH:36])[C@H:27]([O:41][C:25]3=[C:24]([C:11]4=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]4)[O:39][C:14]4=[CH:8][C:12]([OH:28])=[CH:7][C:13]([OH:29])=[C:16]4[C:19]3=[O:32])[O:40]2)[O:38]1 |
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