| Properties | Image |
|---|
| MNX_ID | MNXM38788 |
 |
| reference | lipidmapsM:LMPK12111193 |
| formula | C24H22O15 |
| global charge | 0 |
| mol weight | 550.425 |
| InChIKey | GCZGYYNUSHMJGX-ZRKQWZGSSA-N |
| InChI | InChI=1S/C24H22O15/c25-9-2-1-8(3-10(9)26)12-4-11(27)18-13(37-12)5-14(19(31)21(18)33)38-24-23(35)22(34)20(32)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20,22-26,31-35H,6-7H2,(H,28,29)/t15-,20-,22+,23-,24-/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC(O)=C(O)C=C4)O3)C(O)=C2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H22O15/c25-9-2-1-8(3-10(9)26)12-4-11(27)18-13(37-12)5-14(19(31)21(18)33)38-24-23(35)22(34)20(32)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20,22-26,31-35H,6-7H2,(H,28,29)/t15-,20-,22+,23-,24-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:25])=[C:10]([OH:26])[CH:3]=[C:8]1[C:12]1=[CH:4][C:11](=[O:27])[C:18]2=[C:13]([CH:5]=[C:14]([O:38][C@H:24]3[C@H:23]([OH:35])[C@@H:22]([OH:34])[C@H:20]([OH:32])[C@@H:15]([CH2:7][O:36][C:17]([CH2:6][C:16](=[O:28])[OH:29])=[O:30])[O:39]3)[C:19]([OH:31])=[C:21]2[OH:33])[O:37]1 |
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