| Properties | Image |
MNX_ID | MNXM38862 |
 |
reference | lipidmapsM:LMPK12113394 |
formula | C19H14O8 |
global charge | 0 |
mol weight | 370.313 |
InChIKey | KRPNMZQYEXAVOD-UHFFFAOYSA-N |
InChI | InChI=1S/C19H14O8/c1-22-12-5-11-13(14(20)18(12)23-2)15(21)19-17(27-11)8-3-4-10-16(26-7-25-10)9(8)6-24-19/h3-5,20H,6-7H2,1-2H3 |
SMILES | COC1=CC2=C(C(=O)C3=C(O2)C2=CC=C4OCOC4=C2CO3)C(O)=C1OC |
MNX internals
InChI (mnx) | InChI=1/C19H14O8/c1-22-12-5-11-13(14(20)18(12)23-2)15(21)19-17(27-11)8-3-4-10-16(26-7-25-10)9(8)6-24-19/h3-5,20H,6-7H2,1-2H3 |
 |
SMILES (mnx) | [CH3:1][O:22][C:12]1=[C:18]([O:23][CH3:2])[C:14]([OH:20])=[C:13]2[C:11](=[CH:5]1)[O:27][C:17]1=[C:19]([C:15]2=[O:21])[O:24][CH2:6][C:9]2=[C:8]1[CH:3]=[CH:4][C:10]1=[C:16]2[O:26][CH2:7][O:25]1 |
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