input word = C00004469

Metabolite InformationStructural formula
Name 3-(3-Methylbutyl)tricetin 5-neohesperidoside
Formula C32H40O16
Mw 680.23163523
CAS RN 97165-53-2
C_ID C00004469 ,
InChIKey ZNGICWZSXCCSHV-ZHTOQIRNNA-N
InChICode InChI=1S/C32H40O16/c1-11(2)4-5-15-23(38)21-18(45-29(15)13-6-16(35)24(39)17(36)7-13)8-14(34)9-19(21)46-32-30(27(42)25(40)20(10-33)47-32)48-31-28(43)26(41)22(37)12(3)44-31/h6-9,11-12,20,22,25-28,30-37,39-43H,4-5,10H2,1-3H3/t12-,20-,22+,25-,26+,27+,28+,30+,31+,32-/m1/s1
SMILES CC(C)CCc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaunaea asplenifolia Ref.
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