input word = C00014052

Metabolite InformationStructural formula
Name Precatorin III
6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C27H30O14
Mw 578.16355567
CAS RN 211568-81-9
C_ID C00014052 ,
InChIKey ACQJLHGCCNJDOD-DJBUDYMINA-N
InChICode InChI=1S/C27H30O14/c1-37-15-7-16-18(13(31)6-14(39-16)11-2-4-12(30)5-3-11)21(33)19(15)23-24(22(34)20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-30,32-36H,8-10H2,1H3/t17-,20+,22+,23+,24-,25-,26+,27-/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)OC)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@](O)(CO)CO1)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus precatorius Ref.
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