| Properties | Image |
|---|
| MNX_ID | MNXM1190294 |
 |
| reference | envipathM:...dfc0363661b2 |
| formula | C21H28O7 |
| global charge | 0 |
| mol weight | 392.448 |
| InChIKey | VRESMXUFAYCKLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H28O7/c1-12(22)10-27-15-7-5-14(6-8-15)21(3,4)16-9-17(24)20(19(26)18(16)25)28-11-13(2)23/h5-9,12-13,22-26H,10-11H2,1-4H3 |
| SMILES | CC(O)COC1=CC=C(C(C)(C)C2=C(O)C(O)=C(OCC(C)O)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H28O7/c1-12(22)10-27-15-7-5-14(6-8-15)21(3,4)16-9-17(24)20(19(26)18(16)25)28-11-13(2)23/h5-9,12-13,22-26H,10-11H2,1-4H3/t12?,13? |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH2:10][O:27][C:15]1=[CH:8][CH:6]=[C:14]([C:21]([CH3:3])([CH3:4])[C:16]2=[CH:9][C:17]([OH:24])=[C:20]([O:28][CH2:11][CH:13]([CH3:2])[OH:23])[C:19]([OH:26])=[C:18]2[OH:25])[CH:5]=[CH:7]1)[OH:22] |
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