| Properties | Image |
|---|
| MNX_ID | MNXM48706 |
 |
| reference | lipidmapsM:LMPK12060040 |
| formula | C23H22O8 |
| global charge | 0 |
| mol weight | 426.421 |
| InChIKey | MYQAATJJIDGOMQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H22O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,24,26H,1,6,9-10H2,2-3H3 |
| SMILES | C=C(CO)C1CC2=C(C=CC3=C2OC2COC4=C(C=C(OC)C(OC)=C4)C2(O)C3=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C23H22O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,24,26H,1,6,9-10H2,2-3H3/t16?,20?,23? |
 |
| SMILES (mnx) | [CH2:1]=[C:11]([CH2:9][OH:24])[CH:16]1[CH2:6][C:13]2=[C:15]([CH:5]=[CH:4][C:12]3=[C:21]2[O:31][CH:20]2[CH2:10][O:29][C:17]4=[CH:8][C:19]([O:28][CH3:3])=[C:18]([O:27][CH3:2])[CH:7]=[C:14]4[C:23]2([OH:26])[C:22]3=[O:25])[O:30]1 |
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