| Properties | Image |
|---|
| MNX_ID | MNXM148665 |
 |
| reference | metacycM:CPD-16749 |
| formula | C22H22O8 |
| global charge | 0 |
| mol weight | 414.41 |
| InChIKey | OUBXNLHKULQZHY-XDNBZFNLSA-N |
| InChI | InChI=1S/C22H22O8/c1-25-13-5-4-10(6-14(13)26-2)16-11-7-15-20(30-9-29-15)21(27-3)18(11)19(23)12-8-28-22(24)17(12)16/h4-7,12,16-17,19,23H,8-9H2,1-3H3/t12?,16-,17?,19-/m1/s1 |
| SMILES | COC1=C(OC)C=C([C@@H]2C3=CC4=C(OCO4)C(OC)=C3[C@H](O)C3COC(=O)C32)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O8/c1-25-13-5-4-10(6-14(13)26-2)16-11-7-15-20(30-9-29-15)21(27-3)18(11)19(23)12-8-28-22(24)17(12)16/h4-7,12,16-17,19,23H,8-9H2,1-3H3/t12?,16-,17?,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][C:13]1=[C:14]([O:26][CH3:2])[CH:6]=[C:10]([C@@H:16]2[C:11]3=[CH:7][C:15]4=[C:20]([C:21]([O:27][CH3:3])=[C:18]3[C@H:19]([OH:23])[CH:12]3[CH2:8][O:28][C:22](=[O:24])[CH:17]32)[O:30][CH2:9][O:29]4)[CH:4]=[CH:5]1 |
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