input word = C00013818

Metabolite InformationStructural formula
Name Kaempferol 4'-methyl ether 3-neohesperidoside
Kaempferide 3-O-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H32O15
Mw 608.17412036
CAS RN 261159-42-6
C_ID C00013818 ,
InChIKey BZRYTCVZZLOPIO-QZODVININA-N
InChICode InChI=1S/C28H32O15/c1-10-18(32)21(35)23(37)27(39-10)43-26-22(36)19(33)16(9-29)41-28(26)42-25-20(34)17-14(31)7-12(30)8-15(17)40-24(25)11-3-5-13(38-2)6-4-11/h3-8,10,16,18-19,21-23,26-33,35-37H,9H2,1-2H3/t10-,16+,18-,19-,21+,22-,23-,26+,27-,28-/m0/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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCostaceaeCostus spicatus Ref.
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