input word = C00006009

Metabolite InformationStructural formula
Name Isorhamnetin 3-(6''-p-coumarylglucoside)
Formula C31H28O14
Mw 624.14790561
CAS RN 84534-24-7,110351-14-9
C_ID C00006009 ,
InChIKey TVMGLJJYKIHJNJ-FAWRBAEVNA-N
InChICode InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)34)29-30(26(38)24-19(35)11-17(33)12-21(24)43-29)45-31-28(40)27(39)25(37)22(44-31)13-42-23(36)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-4+/t22-,25-,27-,28+,31+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAerva lanata Ref.
PlantaeFagaceaeQuercus cerris Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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