| Properties | Image |
|---|
| MNX_ID | MNXM49022 |
 |
| reference | lipidmapsM:LMPK12110732 |
| formula | C21H14O8 |
| global charge | 0 |
| mol weight | 394.335 |
| InChIKey | VILOWVUOQBNWPP-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H14O8/c1-7-15-17-14(29-21(15)20(27)18(7)25)6-13-16(19(17)26)11(24)5-12(28-13)8-2-3-9(22)10(23)4-8/h2-6,15,21-23,25-26H,1H3 |
| SMILES | CC1=C(O)C(=O)C2OC3=C(C(O)=C4C(=O)C=C(C5=CC(O)=C(O)C=C5)OC4=C3)C12 |
MNX internals
| InChI (mnx) | InChI=1/C21H14O8/c1-7-15-17-14(29-21(15)20(27)18(7)25)6-13-16(19(17)26)11(24)5-12(28-13)8-2-3-9(22)10(23)4-8/h2-6,15,21-23,25-26H,1H3/t15?,21? |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[C:18]([OH:25])[C:20](=[O:27])[CH:21]2[CH:15]1[C:17]1=[C:19]([OH:26])[C:16]3=[C:13]([CH:6]=[C:14]1[O:29]2)[O:28][C:12]([C:8]1=[CH:4][C:10]([OH:23])=[C:9]([OH:22])[CH:3]=[CH:2]1)=[CH:5][C:11]3=[O:24] |
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