input word = C00014416

Metabolite InformationStructural formula
Name Phellochinin A
3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside
Formula C26H30O11
Mw 518.1788118
CAS RN 220860-05-9
C_ID C00014416 ,
InChIKey QSSFFTAPQCTDCJ-IECRJPNBNA-N
InChICode InChI=1S/C26H30O11/c1-11(2)3-4-12-7-13(5-6-15(12)28)25-23(33)21(31)19-16(29)8-14(9-17(19)36-25)35-26-24(34)22(32)20(30)18(10-27)37-26/h3,5-9,18,20,22-30,32-34H,4,10H2,1-2H3/t18-,20-,22+,23-,24-,25-,26-/m1/s1
SMILES c1(cc2c(c(c1)O)C(=O)[C@H]([C@H](O2)c1cc(c(cc1)O)CC=C(C)C)O)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 Ref.
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