| Properties | Image |
|---|
| MNX_ID | MNXM98910 |
 |
| reference | metacycM:CPD-14366 |
| formula | C23H14O10 |
| global charge | -2 |
| mol weight | 450.355 |
| InChIKey | GMCQTEXCKWTVCX-UHFFFAOYSA-L |
| InChI | InChI=1S/C23H16O10/c1-7(24)3-14(28)23(33)12-6-11-16(21(31)17(12)22(32)18(23)8(2)25)20(30)15-10(19(11)29)4-9(26)5-13(15)27/h4-6,26-27,31-33H,3H2,1-2H3/p-2 |
| SMILES | CC(=O)CC(=O)C1(O)C2=CC3=C(C(=O)C4=C(C=C([O-])C=C4O)C3=O)C(O)=C2C([O-])=C1C(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C23H16O10/c1-7(24)3-14(28)23(33)12-6-11-16(21(31)17(12)22(32)18(23)8(2)25)20(30)15-10(19(11)29)4-9(26)5-13(15)27/h4-6,26-27,31-33H,3H2,1-2H3/t23? |
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| SMILES (mnx) | [CH3:1][C:7]([CH2:3][C:14]([C:23]1([OH:33])[C:12]2=[C:17]([C:21]([OH:31])=[C:16]3[C:11](=[CH:6]2)[C:19](=[O:29])[C:10]2=[C:15]([C:13]([OH:27])=[CH:5][C:9]([OH:26])=[CH:4]2)[C:20]3=[O:30])[C:22]([OH:32])=[C:18]1[C:8]([CH3:2])=[O:25])=[O:28])=[O:24] |
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