input word = C00014053

Metabolite InformationStructural formula
Name Precatorin II
6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
Formula C28H32O15
Mw 608.17412036
CAS RN 211568-62-6
C_ID C00014053 ,
InChIKey WRJOTXXNFMIKBB-GGSOYNCPNA-N
InChICode InChI=1S/C28H32O15/c1-38-21-17(19(34)16-13(32)7-14(41-22(16)25(21)39-2)11-3-5-12(31)6-4-11)23-24(20(35)18(33)15(8-29)42-23)43-27-26(36)28(37,9-30)10-40-27/h3-7,15,18,20,23-24,26-27,29-31,33-37H,8-10H2,1-2H3/t15-,18+,20+,23+,24-,26-,27+,28+/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2OC)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.
zoom in