input word = C00014361

Metabolite InformationStructural formula
Name Phellodensin E
5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone 7-glucoside
Formula C26H30O11
Mw 518.1788118
CAS RN 531503-85-2
C_ID C00014361 ,
InChIKey WGRQQDUXRSBBSB-MEAZBLLGNA-N
InChICode InChI=1S/C26H30O11/c1-12(10-27)2-7-15-19(36-26-24(34)23(33)22(32)20(11-28)37-26)9-17(31)21-16(30)8-18(35-25(15)21)13-3-5-14(29)6-4-13/h2-6,9,18,20,22-24,26-29,31-34H,7-8,10-11H2,1H3/b12-2+/t18-,20-,22+,23-,24+,26+/m0/s1
SMILES c1(c(c2c(c(c1)O)C(=O)C[C@H](O2)c1ccc(cc1)O)C/C=C(\C)/CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron chinense var.glabriusculum Ref.
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