input word = C00049663

Metabolite InformationStructural formula
Name Patuloside B
Formula C25H28O15
Mw 568.14282023
CAS RN 229344-35-8
C_ID C00049663 ,
InChIKey RNQYOSSVXKYFDR-KUUDZYKANA-N
InChICode InChI=1S/C25H28O15/c1-7-15(29)19(33)21(35)24(36-7)40-23-20(34)18(32)13(6-26)39-25(23)37-8-4-11(28)14-12(5-8)38-22-9(16(14)30)2-3-10(27)17(22)31/h2-5,7,13,15,18-21,23-29,31-35H,6H2,1H3/t7-,13+,15-,18+,19+,20-,21+,23+,24-,25+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c5ccc(O)c(O)c5oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum patulum Ref.
zoom in