| Properties | Image |
|---|
| MNX_ID | MNXM103708 |
 |
| reference | chebi:65611 |
| formula | C20H18O7 |
| global charge | 0 |
| mol weight | 370.357 |
| InChIKey | PYEDKAHYOPGAKC-PDXJJUDESA-N |
| InChI | InChI=1S/C20H18O7/c1-20-8-9(21)6-13(26-20)16-14(27-20)7-12-17(19(16)23)18(22)15-10(24-2)4-3-5-11(15)25-12/h3-5,7,9,13,21,23H,6,8H2,1-2H3/t9-,13+,20+/m1/s1 |
| SMILES | COC1=C2C(=O)C3=C(C=C4O[C@@]5(C)C[C@H](O)C[C@H](O5)C4=C3O)OC2=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H18O7/c1-20-8-9(21)6-13(26-20)16-14(27-20)7-12-17(19(16)23)18(22)15-10(24-2)4-3-5-11(15)25-12/h3-5,7,9,13,21,23H,6,8H2,1-2H3/t9-,13+,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:20]12[CH2:8][C@H:9]([OH:21])[CH2:6][C@@H:13]([C:16]3=[C:14]([CH:7]=[C:12]4[C:17](=[C:19]3[OH:23])[C:18](=[O:22])[C:15]3=[C:10]([O:24][CH3:2])[CH:4]=[CH:3][CH:5]=[C:11]3[O:25]4)[O:27]1)[O:26]2 |
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