| Properties | Image |
|---|
| MNX_ID | MNXM39158 |
 |
| reference | lipidmapsM:LMPK12140575 |
| formula | C22H24O11 |
| global charge | 0 |
| mol weight | 464.423 |
| InChIKey | IPTSFJJEEHGVCY-YMTXFHFDSA-N |
| InChI | InChI=1S/C22H24O11/c1-30-10-5-12(25)18-13(26)7-14(31-16(18)6-10)9-2-3-11(24)15(4-9)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1 |
| SMILES | COC1=CC(O)=C2C(=O)C[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H24O11/c1-30-10-5-12(25)18-13(26)7-14(31-16(18)6-10)9-2-3-11(24)15(4-9)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:30][C:10]1=[CH:5][C:12]([OH:25])=[C:18]2[C:13](=[O:26])[CH2:7][C@@H:14]([C:9]3=[CH:4][C:15]([O:32][C@H:22]4[C@H:21]([OH:29])[C@@H:20]([OH:28])[C@H:19]([OH:27])[C@@H:17]([CH2:8][OH:23])[O:33]4)=[C:11]([OH:24])[CH:3]=[CH:2]3)[O:31][C:16]2=[CH:6]1 |
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