| Properties | Image |
| MNX_ID | MNXM26132 |
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| reference | lipidmapsM:LMPK12140099 |
| formula | C17H16O6 |
| global charge | 0 |
| mol weight | 316.309 |
| InChIKey | CEKYFXJLACPHJE-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H16O6/c1-21-10-5-3-9(4-6-10)13-8-12(18)11-7-14(22-2)15(19)16(20)17(11)23-13/h3-7,13,19-20H,8H2,1-2H3 |
| SMILES | COC1=CC=C(C2CC(=O)C3=C(O2)C(O)=C(O)C(OC)=C3)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H16O6/c1-21-10-5-3-9(4-6-10)13-8-12(18)11-7-14(22-2)15(19)16(20)17(11)23-13/h3-7,13,19-20H,8H2,1-2H3/t13? |
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| SMILES (mnx) | [CH3:1][O:21][C:10]1=[CH:6][CH:4]=[C:9]([CH:13]2[CH2:8][C:12](=[O:18])[C:11]3=[CH:7][C:14]([O:22][CH3:2])=[C:15]([OH:19])[C:16]([OH:20])=[C:17]3[O:23]2)[CH:3]=[CH:5]1 |
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