Details of MS 3
| IUPAC | [3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| Canonical Smiles | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O |
| Inchi | WTZUCTQSBSDSRG-UHFFFAOYSA-N |
| PubChem ID | 100450 |
| Smiles | CC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc(CO)c(CO)c1O |
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