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CHEBI:197002 - isorhamnetin 3-O-[α-L-rhamnopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside]
| Formula | C34H42O20 |
| Net Charge | 0 |
| Average Mass | 770.690 |
| Monoisotopic Mass | 770.22694 |
| SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI | InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-15(37)7-13(35)8-17(19)51-29(31)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22+,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1 |
| InChIKey | JWHAWYQFMISEEO-HFGMQGSFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isorhamnetin 3-O-[α-L-rhamnopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:197002) is a flavonoids (CHEBI:72544) |
| isorhamnetin 3-O-[α-L-rhamnopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:197002) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-[6-[[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| FDB019506 | FooDB |
| HMDB0039850 | HMDB |