| Properties | Image |
| MNX_ID | MNXM39489 |
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| reference | lipidmapsM:LMPK12020087 |
| formula | C19H20O7 |
| global charge | 0 |
| mol weight | 360.362 |
| InChIKey | KLFQXCVGEVYPOF-FMSUVHIHSA-N |
| InChI | InChI=1S/C19H20O7/c1-8-4-16(24)25-15-7-12(21)10-6-14(23)18(26-19(10)17(8)15)9-2-3-11(20)13(22)5-9/h2-3,5,7-8,14,16,18,20-24H,4,6H2,1H3/t8-,14-,16+,18-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H](O)OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC(O)=C(O)C=C4)OC3=C21 |
MNX internals
| InChI (mnx) | InChI=1/C19H20O7/c1-8-4-16(24)25-15-7-12(21)10-6-14(23)18(26-19(10)17(8)15)9-2-3-11(20)13(22)5-9/h2-3,5,7-8,14,16,18,20-24H,4,6H2,1H3/t8-,14-,16+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[CH2:4][C@@H:16]([OH:24])[O:25][C:15]2=[CH:7][C:12]([OH:21])=[C:10]3[CH2:6][C@@H:14]([OH:23])[C@@H:18]([C:9]4=[CH:5][C:13]([OH:22])=[C:11]([OH:20])[CH:3]=[CH:2]4)[O:26][C:19]3=[C:17]12 |
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