input word = C00013822

Metabolite InformationStructural formula
Name Kaempferol 7,4'-dimethyl ether 3-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C29H34O15
Mw 622.18977042
CAS RN 318498-23-6
C_ID C00013822 ,
InChIKey JIKPQXBHZBMAEG-RREPIABJNA-N
InChICode InChI=1S/C29H34O15/c1-11-19(32)22(35)24(37)28(40-11)44-27-23(36)20(33)17(10-30)42-29(27)43-26-21(34)18-15(31)8-14(39-3)9-16(18)41-25(26)12-4-6-13(38-2)7-5-12/h4-9,11,17,19-20,22-24,27-33,35-37H,10H2,1-3H3/t11-,17+,19+,20+,22-,23+,24+,27+,28+,29+/m1/s1
SMILES c1c(ccc(c1)OC)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCostaceaeCostus spicatus Ref.
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OrganismCostus spicatus
Referenceda Silva,Fitoterapia,71,(2000),507