| Properties | Image |
|---|
| MNX_ID | MNXM103987 |
 |
| reference | chebi:70013 |
| formula | C21H22O7 |
| global charge | 0 |
| mol weight | 386.4 |
| InChIKey | GIROBNCADSJPIJ-OQBWYENPSA-N |
| InChI | InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(21(3,26)19(24)15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-7,9,17,22-23,26H,8,10H2,1-3H3/b5-4+/t17-,21-/m1/s1 |
| SMILES | C/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)C1=C(O)C=C(O)C=C1C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H22O7/c1-4-5-14-7-12-8-17(21(3,26)19(24)15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-7,9,17,22-23,26H,8,10H2,1-3H3/b5-4+/t17-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:4]=[CH:5]/[C:14]1=[CH:7][C:12]2=[C:15]([CH2:10][O:27]1)[C:19](=[O:24])[C@:21]([CH3:3])([OH:26])[C@H:17]([O:28][C:20]([C:18]1=[C:16]([OH:23])[CH:9]=[C:13]([OH:22])[CH:6]=[C:11]1[CH3:2])=[O:25])[CH2:8]2 |
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