| Properties | Image |
| MNX_ID | MNXM1131094 |
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| reference | lipidmapsM:LMPK13040035 |
| formula | C18H12O7 |
| global charge | 0 |
| mol weight | 340.287 |
| InChIKey | BABJNKGTTYCTOO-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2 |
| SMILES | O=C1C2=CC3=C(C(O)=C2C(=O)C2=C1C=C(O)C=C2O)C1CCOC1O3 |
MNX internals
| InChI (mnx) | InChI=1/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7?,18? |
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| SMILES (mnx) | [CH2:1]1[CH2:2][O:24][CH:18]2[CH:7]1[C:13]1=[C:17]([OH:23])[C:14]3=[C:9]([CH:5]=[C:11]1[O:25]2)[C:15](=[O:21])[C:8]1=[C:12]([C:10]([OH:20])=[CH:4][C:6]([OH:19])=[CH:3]1)[C:16]3=[O:22] |
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