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CHEBI:176307 - Pelargonidin 3-sophoroside 5-glucoside
| Formula | C33H41O20 |
| Net Charge | +1 |
| Average Mass | 757.671 |
| Monoisotopic Mass | 757.21857 |
| SMILES | OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc23)C(O)C(O)C1O |
| InChI | InChI=1S/C33H40O20/c34-8-18-21(39)24(42)27(45)31(50-18)48-16-6-13(38)5-15-14(16)7-17(29(47-15)11-1-3-12(37)4-2-11)49-33-30(26(44)23(41)20(10-36)52-33)53-32-28(46)25(43)22(40)19(9-35)51-32/h1-7,18-28,30-36,39-46H,8-10H2,(H-,37,38)/p+1 |
| InChIKey | XPMFXZDODDEKIK-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pelargonidin 3-sophoroside 5-glucoside (CHEBI:176307) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 2-[4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033687 | HMDB |