input word = C00005304

Metabolite InformationStructural formula
Name Fisetin 7-rutinoside
Formula C27H30O15
Mw 594.15847029
CAS RN 27576-44-9
C_ID C00005304 ,
InChIKey ROKINGZIRKUMQG-FZJNIUSTNA-N
InChICode InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-16-19(32)21(34)24(37)27(42-16)40-11-3-4-12-15(7-11)41-25(22(35)18(12)31)10-2-5-13(28)14(29)6-10/h2-7,9,16-17,19-21,23-24,26-30,32-37H,8H2,1H3/t9-,16-,17+,19-,20+,21+,23-,24-,26-,27-/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3ccc4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBaptisia lecontei Ref.
PlantaeFabaceaeBaptisia simplicifolia Ref.
PlantaeFabaceaeBaptisia sphaerocarpa Ref.
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OrganismBaptisia sphaerocarpa
ReferenceMarkham,Phytochem.,9,(1970),2359