| Properties | Image |
|---|
| MNX_ID | MNXM38840 |
 |
| reference | lipidmapsM:LMPK12112836 |
| formula | C28H32O15 |
| global charge | 0 |
| mol weight | 608.549 |
| InChIKey | FJHPUUFNRDPJAD-ZVSREZIMSA-N |
| InChI | InChI=1S/C28H32O15/c1-9-16(30)20(34)22(36)27(39-9)42-14-8-13-15(18(32)25(14)38-3)19(33)26(24(41-13)11-4-6-12(29)7-5-11)43-28-23(37)21(35)17(31)10(2)40-28/h4-10,16-17,20-23,27-32,34-37H,1-3H3/t9-,10-,16-,17-,20+,21+,22+,23+,27-,28-/m0/s1 |
| SMILES | COC1=C(O)C2=C(C=C1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)OC(C1=CC=C(O)C=C1)=C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O15/c1-9-16(30)20(34)22(36)27(39-9)42-14-8-13-15(18(32)25(14)38-3)19(33)26(24(41-13)11-4-6-12(29)7-5-11)43-28-23(37)21(35)17(31)10(2)40-28/h4-10,16-17,20-23,27-32,34-37H,1-3H3/t9-,10-,16-,17-,20+,21+,22+,23+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:16]([OH:30])[C@@H:20]([OH:34])[C@@H:22]([OH:36])[C@H:27]([O:42][C:14]2=[C:25]([O:38][CH3:3])[C:18]([OH:32])=[C:15]3[C:13](=[CH:8]2)[O:41][C:24]([C:11]2=[CH:5][CH:7]=[C:12]([OH:29])[CH:6]=[CH:4]2)=[C:26]([O:43][C@H:28]2[C@H:23]([OH:37])[C@H:21]([OH:35])[C@@H:17]([OH:31])[C@H:10]([CH3:2])[O:40]2)[C:19]3=[O:33])[O:39]1 |
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