| Properties | Image |
|---|
| MNX_ID | MNXM62808 |
 |
| reference | lipidmapsM:LMPK12112421 |
| formula | C26H28O17 |
| global charge | 0 |
| mol weight | 612.493 |
| InChIKey | MMKMIFKDPPAMLJ-JWYZLBFDSA-N |
| InChI | InChI=1S/C26H28O17/c27-5-14-18(35)20(37)24(43-25-21(38)17(34)12(32)6-39-25)26(41-14)42-23-19(36)15-9(29)3-8(28)4-13(15)40-22(23)7-1-10(30)16(33)11(31)2-7/h1-4,12,14,17-18,20-21,24-35,37-38H,5-6H2/t12-,14-,17+,18-,20+,21-,24-,25+,26+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C(O)=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O17/c27-5-14-18(35)20(37)24(43-25-21(38)17(34)12(32)6-39-25)26(41-14)42-23-19(36)15-9(29)3-8(28)4-13(15)40-22(23)7-1-10(30)16(33)11(31)2-7/h1-4,12,14,17-18,20-21,24-35,37-38H,5-6H2/t12-,14-,17+,18-,20+,21-,24-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:7]([C:22]2=[C:23]([O:42][C@H:26]3[C@H:24]([O:43][C@H:25]4[C@H:21]([OH:38])[C@@H:17]([OH:34])[C@H:12]([OH:32])[CH2:6][O:39]4)[C@@H:20]([OH:37])[C@H:18]([OH:35])[C@@H:14]([CH2:5][OH:27])[O:41]3)[C:19](=[O:36])[C:15]3=[C:9]([OH:29])[CH:3]=[C:8]([OH:28])[CH:4]=[C:13]3[O:40]2)[CH:2]=[C:11]([OH:31])[C:16]([OH:33])=[C:10]1[OH:30] |
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