| Properties | Image |
| MNX_ID | MNXM37055 |
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| reference | lipidmapsM:LMPK12120590 |
| formula | C16H16O6 |
| global charge | 0 |
| mol weight | 304.298 |
| InChIKey | VLBNMSNZHGUERF-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H16O6/c1-22-14-8-11(18)7-12(19)15(14)16(21)13(20)6-9-2-4-10(17)5-3-9/h2-5,7-8,13,17-20H,6H2,1H3 |
| SMILES | COC1=C(C(=O)C(O)CC2=CC=C(O)C=C2)C(O)=CC(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H16O6/c1-22-14-8-11(18)7-12(19)15(14)16(21)13(20)6-9-2-4-10(17)5-3-9/h2-5,7-8,13,17-20H,6H2,1H3/t13? |
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| SMILES (mnx) | [CH3:1][O:22][C:14]1=[CH:8][C:11]([OH:18])=[CH:7][C:12]([OH:19])=[C:15]1[C:16]([CH:13]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:17])[CH:4]=[CH:2]1)[OH:20])=[O:21] |
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