| Properties | Image |
|---|
| MNX_ID | MNXM80353 |
 |
| reference | lipidmapsM:LMPK12112090 |
| formula | C26H28O16 |
| global charge | 0 |
| mol weight | 596.494 |
| InChIKey | NKFZLEYLWAFYEH-MSDSYHKSSA-N |
| InChI | InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15?,17?,18-,20?,21-,24?,25+,26+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15?,17?,18-,20?,21-,24?,25+,26+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:29])=[C:11]([OH:30])[CH:3]=[C:8]1[C:22]1=[C:23]([O:41][C@H:26]2[CH:24]([O:42][C@H:25]3[C@H:21]([OH:37])[CH:17]([OH:33])[C@H:13]([OH:32])[CH2:7][O:38]3)[CH:20]([OH:36])[C@H:18]([OH:34])[CH:15]([CH2:6][OH:27])[O:40]2)[C:19](=[O:35])[C:16]2=[C:12]([OH:31])[CH:4]=[C:9]([OH:28])[CH:5]=[C:14]2[O:39]1 |
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