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| CAS No.: | 26544-34-3 |
| Molecular Formula | C₂₆H₂₈O₁₄ |
| Molecular Weight | 564.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
IUPAC Name: 7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI: InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKey: NTDLXWMIWOECHG-YRCFQSNFSA-N
Canonical SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
Isomeric SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
Synonyms: apiin; 26544-34-3; Apigenin-7-apioglucoside; Apioside; UNII-6QU3EZE37U; 6QU3EZE37U; CHEBI:15932; EINECS 247-780-0; …
Botanical Source: Apium graveolens L.
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