| SpectraBase Compound ID | HRFaq3jQ93k |
|---|---|
| InChI | InChI=1S/C11H12O6/c1-4-8(13)5-3-6(12)10(16-2)9(14)7(5)11(15)17-4/h3-4,8,12-14H,1-2H3/t4-,8-/m1/s1 |
| InChIKey | ZLLQQKITWRWKTD-SPGJFGJESA-N |
| Mol Weight | 240.21 g/mol |
| Molecular Formula | C11H12O6 |
| Exact Mass | 240.063388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LKgMX5cYc7b |
|---|---|
| Name | Lignicol |
| Alternate Name(s) | 3-Methyl-4,6,9-trihydroxy-7-methoxy-3,4-dihydro-isobenzopyran-1(1H)-one (3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one (3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one (3R,4S)-7-methoxy-3-methyl-4,6,8-tris(oxidanyl)-3,4-dihydroisochromen-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O6 |
| InChI | InChI=1S/C11H12O6/c1-4-8(13)5-3-6(12)10(16-2)9(14)7(5)11(15)17-4/h3-4,8,12-14H,1-2H3/t4-,8-/m1/s1 |
| InChIKey | ZLLQQKITWRWKTD-SPGJFGJESA-N |
| Molecular Weight | 240.211 g/mol |
| SMILES | Oc1c2c([C@@]([C@](OC2=O)(C)[H])(O)[H])cc(c1OC)O |
| SPLASH | splash10-0006-0790000000-84cb2df9186455fa0c82 |
| Source of Spectrum | X2-56-1837-3 |
| Wiley ID | 1605158 |