| Properties | Image |
|---|
| MNX_ID | MNXM1197687 |
 |
| reference | envipathM:...ca3a9f2a21ae |
| formula | C22H20O7 |
| global charge | 0 |
| mol weight | 396.395 |
| InChIKey | KARWBNRGQGVDED-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H20O7/c1-10(2)16-7-12-14(27-16)4-5-15-21(12)28-19-9-26-17-8-18(25-3)13(23)6-11(17)20(19)22(24)29-15/h4-6,8,16,19-20,23H,1,7,9H2,2-3H3 |
| SMILES | C=C(C)C1CC2=C3OC4COC5=C(C=C(O)C(OC)=C5)C4C(=O)OC3=CC=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C22H20O7/c1-10(2)16-7-12-14(27-16)4-5-15-21(12)28-19-9-26-17-8-18(25-3)13(23)6-11(17)20(19)22(24)29-15/h4-6,8,16,19-20,23H,1,7,9H2,2-3H3/t16?,19?,20? |
 |
| SMILES (mnx) | [CH2:1]=[C:10]([CH3:2])[CH:16]1[CH2:7][C:12]2=[C:14]([CH:4]=[CH:5][C:15]3=[C:21]2[O:28][CH:19]2[CH2:9][O:26][C:17]4=[CH:8][C:18]([O:25][CH3:3])=[C:13]([OH:23])[CH:6]=[C:11]4[CH:20]2[C:22](=[O:24])[O:29]3)[O:27]1 |
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