Description
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI: InChI=1S/C28H32O16/c1-9-16(31)20(35)22(37)27(41-9)40-8-14-17(32)21(36)23(38)28(43-14)44-26-19(34)15-13(7-12(30)25(39-2)18(15)33)42-24(26)10-3-5-11(29)6-4-10/h3-7,9,14,16-17,20-23,27-33,35-38H,8H2,1-2H3/t9-,14+,16-,17+,20+,21-,22+,23+,27+,28-/m0/s1
InChIKey: FPVLVSUOCXHCMR-FPHOCJSOSA-N
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=C(C(=C4)O)OC)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=C(C(=C4)O)OC)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
Synonyms: 6-Methoxykaempferol 3-O-rutinoside; 403861-33-6; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; CHEMBL2037047; HY-N2239; AKOS037515065; FS-6934; PD125664; …
Botanical Source: