input word = C00013879

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
3-[[2-O-Acetyl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C29H32O17
Mw 652.1639496
CAS RN 455253-61-9
C_ID C00013879 ,
InChIKey OTLZRRUHHNDQIU-JNSZQQEYNA-N
InChICode InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24-,27+,28+,29-/m0/s1
SMILES CC(=O)OC1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus mume Ref.
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