| Properties | Image |
MNX_ID | MNXM29084 |
 |
reference | lipidmapsM:LMPK12120577 |
formula | C16H16O5 |
global charge | 0 |
mol weight | 288.299 |
InChIKey | FDKXRBOKHKHJHH-UHFFFAOYSA-N |
InChI | InChI=1S/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,14,17-19H,8H2,1H3 |
SMILES | COC1=CC(O)=CC=C1C(=O)C(O)CC1=CC=C(O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,14,17-19H,8H2,1H3/t14? |
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SMILES (mnx) | [CH3:1][O:21][C:15]1=[C:13]([C:16]([CH:14]([CH2:8][C:10]2=[CH:3][CH:5]=[C:11]([OH:17])[CH:4]=[CH:2]2)[OH:19])=[O:20])[CH:7]=[CH:6][C:12]([OH:18])=[CH:9]1 |
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