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 CC(C)=CCc1cc([C@H]2Oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3C(=O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron chinense Ref.
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OrganismPhellodendron chinense
ReferenceGuo,Jinan Daxue Xuebo Ziran Kexue Yu Yixueban,19,(1998),68