| Properties | Image |
MNX_ID | MNXM29917 |
 |
reference | lipidmapsM:LMPK12120313 |
formula | C17H16O6 |
global charge | 0 |
mol weight | 316.309 |
InChIKey | IBIYLFIHGWIFSB-GQCTYLIASA-N |
InChI | InChI=1S/C17H16O6/c1-22-11-8-14(20)17(15(21)9-11)13(19)6-4-10-3-5-12(18)16(7-10)23-2/h3-9,18,20-21H,1-2H3/b6-4+ |
SMILES | COC1=CC(O)=C(C(=O)/C=C/C2=CC=C(O)C(OC)=C2)C(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H16O6/c1-22-11-8-14(20)17(15(21)9-11)13(19)6-4-10-3-5-12(18)16(7-10)23-2/h3-9,18,20-21H,1-2H3/b6-4+ |
 |
SMILES (mnx) | [CH3:1][O:22][C:11]1=[CH:8][C:14]([OH:20])=[C:17]([C:13](/[CH:6]=[CH:4]/[C:10]2=[CH:7][C:16]([O:23][CH3:2])=[C:12]([OH:18])[CH:5]=[CH:3]2)=[O:19])[C:15]([OH:21])=[CH:9]1 |
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