| Properties | Image |
MNX_ID | MNXM166210 |
 |
reference | sabiorkM:24693 |
formula | C13H18O6 |
global charge | 0 |
mol weight | 270.281 |
InChIKey | MVLBSNPILSLTFZ-KSSYENDESA-N |
InChI | InChI=1S/C13H18O6/c1-7-2-4-8(5-3-7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1 |
SMILES | CC1=CC=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C13H18O6/c1-7-2-4-8(5-3-7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][C:7]1=[CH:3][CH:5]=[C:8]([O:18][C@H:13]2[C@H:12]([OH:17])[C@@H:11]([OH:16])[C@@H:10]([OH:15])[C@@H:9]([CH2:6][OH:14])[O:19]2)[CH:4]=[CH:2]1 |
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