| Properties | Image |
|---|
| MNX_ID | MNXM24784 |
 |
| reference | lipidmapsM:LMPK12130013 |
| formula | C27H26O14 |
| global charge | 0 |
| mol weight | 574.491 |
| InChIKey | NINVIEQDXJUHKJ-YYZWBCLOSA-N |
| InChI | InChI=1S/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)23(35)26(38-13(3)30)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/t20-,23+,25-,26-,27-/m1/s1 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](OC2=C(O)C3=C(C=C2)C(=O)C(=CC2=CC(O)=C(O)C=C2)O3)[C@H](OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)23(35)26(38-13(3)30)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/b19-9?/t20-,23+,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](=[O:28])[O:36][CH2:10][C@@H:20]1[C@@H:25]([O:37][C:12]([CH3:2])=[O:29])[C@H:23]([OH:35])[C@@H:26]([O:38][C:13]([CH3:3])=[O:30])[C@H:27]([O:40][C:18]2=[C:22]([OH:34])[C:24]3=[C:15]([CH:5]=[CH:7]2)[C:21](=[O:33])[C:19](=[CH:9][C:14]2=[CH:8][C:17]([OH:32])=[C:16]([OH:31])[CH:6]=[CH:4]2)[O:39]3)[O:41]1 |
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