input word = C00014630

Metabolite InformationStructural formula
Name Phloretin 3',5'-Di-C-glucoside
Formula C27H34O15
Mw 598.18977042
CAS RN 357401-40-2
C_ID C00014630 ,
InChIKey WAWHTTXPRUWFCZ-SLZYNQBFNA-N
InChICode InChI=1S/C27H34O15/c28-7-12-17(32)22(37)24(39)26(41-12)15-19(34)14(11(31)6-3-9-1-4-10(30)5-2-9)20(35)16(21(15)36)27-25(40)23(38)18(33)13(8-29)42-27/h1-2,4-5,12-13,17-18,22-30,32-40H,3,6-8H2/t12-,13-,17-,18-,22+,23+,24-,25-,26+,27+/m1/s1
SMILES O=C(CCc1ccc(O)cc1)c1c(O)c([C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(O)c([C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaeRutaceaeFortunella spp. Ref.
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OrganismFortunella spp.
ReferenceOgawa,Phytochem.,57,(2001),737