input word = C00004241

Metabolite InformationStructural formula
Name Pectolinarigenin 7-(4'''-acetylrutinoside)
Linariin
Pectolinarin, 4'''-acetate
7-[[6-O-(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C31H36O16
Mw 664.20033511
CAS RN 53755-56-9
C_ID C00004241 ,
InChIKey PXJGTASAGKWQQJ-YFMOBHSXNA-N
InChICode InChI=1S/C31H36O16/c1-12-28(44-13(2)32)25(37)27(39)30(43-12)42-11-20-22(34)24(36)26(38)31(47-20)46-19-10-18-21(23(35)29(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22,24-28,30-31,34-39H,11H2,1-4H3/t12-,20+,22-,24-,25+,26+,27+,28-,30+,31+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria haelava Ref.
PlantaePlantaginaceaeLinaria japonicum Ref.
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