| Properties | Image |
|---|
| MNX_ID | MNXM12591 |
 |
| reference | chebi:31956 |
| formula | C20H16O7 |
| global charge | 0 |
| mol weight | 368.341 |
| InChIKey | ZJSLMQLVFYXGOW-UYAOXDASSA-N |
| InChI | InChI=1S/C20H16O7/c1-27-12-4-2-3-9-14(12)19(25)16-15(17(9)23)13-10(18(24)20(16)26)5-8(7-21)6-11(13)22/h2-6,18,20-22,24,26H,7H2,1H3/t18-,20-/m1/s1 |
| SMILES | COC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(O)C=C(CO)C=C2[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H16O7/c1-27-12-4-2-3-9-14(12)19(25)16-15(17(9)23)13-10(18(24)20(16)26)5-8(7-21)6-11(13)22/h2-6,18,20-22,24,26H,7H2,1H3/t18-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:27][C:12]1=[CH:4][CH:2]=[CH:3][C:9]2=[C:14]1[C:19](=[O:25])[C:16]1=[C:15]([C:13]3=[C:10]([CH:5]=[C:8]([CH2:7][OH:21])[CH:6]=[C:11]3[OH:22])[C@@H:18]([OH:24])[C@@H:20]1[OH:26])[C:17]2=[O:23] |
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