input word = C00004492

Metabolite InformationStructural formula
Name Scutellarein 6,4'-dimethyl ether 7-(2'''-acetylrutinoside)
Isolinariin A
Pectolinarin 2'''-acetate
7-[[6-O-(2-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 145613-81-6
C_ID C00004492 ,
InChIKey MGBQEYYOKCRLKS-VLZUITDLNA-N
InChICode InChI=1S/C31H36O16/c1-12-22(34)26(38)29(44-13(2)32)31(43-12)42-11-20-23(35)25(37)27(39)30(47-20)46-19-10-18-21(24(36)28(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-23,25-27,29-31,34-39H,11H2,1-4H3/t12-,20+,22-,23-,25-,26+,27-,29-,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]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria japonicum Ref.
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