| Properties | Image |
|---|
| MNX_ID | MNXM38806 |
 |
| reference | lipidmapsM:LMPK12111207 |
| formula | C26H28O16 |
| global charge | 0 |
| mol weight | 596.494 |
| InChIKey | JVTRUQCRQTYOFF-MXPJCCORSA-N |
| InChI | InChI=1S/C26H28O16/c27-6-16-20(34)22(36)24(42-25-23(37)18(32)12(31)7-38-25)26(41-16)40-15-5-14-17(21(35)19(15)33)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,12,16,18,20,22-29,31-37H,6-7H2/t12-,16-,18+,20-,22+,23-,24-,25+,26-/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C(O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O16/c27-6-16-20(34)22(36)24(42-25-23(37)18(32)12(31)7-38-25)26(41-16)40-15-5-14-17(21(35)19(15)33)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,12,16,18,20,22-29,31-37H,6-7H2/t12-,16-,18+,20-,22+,23-,24-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:28])=[C:10]([OH:29])[CH:3]=[C:8]1[C:13]1=[CH:4][C:11](=[O:30])[C:17]2=[C:14]([CH:5]=[C:15]([O:40][C@H:26]3[C@H:24]([O:42][C@H:25]4[C@H:23]([OH:37])[C@@H:18]([OH:32])[C@H:12]([OH:31])[CH2:7][O:38]4)[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:16]([CH2:6][OH:27])[O:41]3)[C:19]([OH:33])=[C:21]2[OH:35])[O:39]1 |
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