| Properties | Image |
|---|
| MNX_ID | MNXM40692 |
 |
| reference | lipidmapsM:LMPK12112854 |
| formula | C22H24O8 |
| global charge | 0 |
| mol weight | 416.426 |
| InChIKey | AMAMGOYSZHKBTQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H24O8/c1-22(2,27)8-7-11-9-12(5-6-13(11)23)19-21(29-4)18(26)16-15(30-19)10-14(24)20(28-3)17(16)25/h5-6,9-10,23-25,27H,7-8H2,1-4H3 |
| SMILES | COC1=C(O)C2=C(C=C1O)OC(C1=CC=C(O)C(CCC(C)(C)O)=C1)=C(OC)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C22H24O8/c1-22(2,27)8-7-11-9-12(5-6-13(11)23)19-21(29-4)18(26)16-15(30-19)10-14(24)20(28-3)17(16)25/h5-6,9-10,23-25,27H,7-8H2,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:22]([CH3:2])([CH2:8][CH2:7][C:11]1=[C:13]([OH:23])[CH:6]=[CH:5][C:12]([C:19]2=[C:21]([O:29][CH3:4])[C:18](=[O:26])[C:16]3=[C:15]([CH:10]=[C:14]([OH:24])[C:20]([O:28][CH3:3])=[C:17]3[OH:25])[O:30]2)=[CH:9]1)[OH:27] |
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