input word = C00004206

Metabolite InformationStructural formula
Name Acacetin 7-neohesperidoside
Formula C28H32O14
Mw 592.17920573
CAS RN 20633-93-6
C_ID C00004206 ,
InChIKey MLWDGPFGTFOLRJ-YNPUILSZNA-N
InChICode InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFortunella japonica Ref.
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