| Properties | Image |
MNX_ID | MNXM27149 |
 |
reference | lipidmapsM:LMPK12111645 |
formula | C17H14O5 |
global charge | 0 |
mol weight | 298.294 |
InChIKey | MHBACTLTIHEFBS-UHFFFAOYSA-N |
InChI | InChI=1S/C17H14O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,18-19,21H,1-2H3 |
SMILES | CC1=C(O)C(C)=C(O)C2=C1OC(C1=CC=CC=C1)=C(O)C2=O |
MNX internals
InChI (mnx) | InChI=1/C17H14O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,18-19,21H,1-2H3 |
 |
SMILES (mnx) | [CH3:1][C:8]1=[C:12]([OH:18])[C:9]([CH3:2])=[C:16]2[C:11](=[C:13]1[OH:19])[C:14](=[O:20])[C:15]([OH:21])=[C:17]([C:10]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[O:22]2 |
|