Met000325: Orientin 4'-O-glucoside-2''-O-rhamnoside

Metabolite Information

Name

Orientin 4'-O-glucoside-2''-O-rhamnoside

IUPAC Name

8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Molecular Formula

C33H40O20

Molecular Weight

756.7

Exact Mass

756.2112937

SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)CO)O)O)O)O)O

InChIKey

WWLPZRSACWPVRA-BCBHYCCMSA-N

InChI

InChI=1S/C33H40O20/c1-9-21(40)24(43)27(46)32(48-9)53-31-26(45)23(42)17(7-34)50-30(31)20-13(38)5-12(37)19-14(39)6-16(49-29(19)20)10-2-3-15(11(36)4-10)51-33-28(47)25(44)22(41)18(8-35)52-33/h2-6,9,17-18,21-28,30-38,40-47H,7-8H2,1H3/t9?,17?,18?,21-,22+,23+,24-,25?,26-,27?,28?,30-,31?,32-,33+/m0/s1