| Properties | Image |
MNX_ID | MNXM26082 |
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reference | lipidmapsM:LMPK12140668 |
formula | C17H16O6 |
global charge | 0 |
mol weight | 316.309 |
InChIKey | VJRWCHHZKGQZJW-UHFFFAOYSA-N |
InChI | InChI=1S/C17H16O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-3-5-10(18)6-4-9/h3-6,8,13,18,20H,7H2,1-2H3 |
SMILES | COC1=C(OC)C2=C(C(=O)CC(C3=CC=C(O)C=C3)O2)C(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H16O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-3-5-10(18)6-4-9/h3-6,8,13,18,20H,7H2,1-2H3/t13? |
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SMILES (mnx) | [CH3:1][O:21][C:14]1=[C:16]([O:22][CH3:2])[C:17]2=[C:15]([C:11](=[O:19])[CH2:7][CH:13]([C:9]3=[CH:4][CH:6]=[C:10]([OH:18])[CH:5]=[CH:3]3)[O:23]2)[C:12]([OH:20])=[CH:8]1 |
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