input word = C00058648

Metabolite InformationStructural formula
Name Pedicularioside E
Formula C35H44O17
Mw 736.25784998
CAS RN 139955-59-2
C_ID C00058648
InChIKey FZLKCOPKIRALLL-DHZHZOJOSA-N
InChICode InChI=1S/C35H44O17/c1-17-28(41)29(42)33(50-19(3)37)35(48-17)52-32-30(43)34(46-13-12-21-7-10-23(39)25(15-21)45-5)51-26(31(32)49-18(2)36)16-47-27(40)11-8-20-6-9-22(38)24(14-20)44-4/h6-11,14-15,17,26,28-35,38-39,41-43H,12-13,16H2,1-5H3/b11-8+
SMILES COc1cc(/C=C/C(=O)OCC2OC(OCCc3ccc(O)c(OC)c3)C(O)C(OC3OC(C)C(O)C(O)C3OC(C)=O)C2OC(C)=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaePedicularis alaschanica Ref.
PlantaeOrobanchaceaePedicularis chinensis Ref.
PlantaeOrobanchaceaePedicularis lasiophrys Ref.
PlantaeOrobanchaceaePedicularis longiflora Ref.
PlantaeOrobanchaceaePedicularis plicata Ref.
PlantaeOrobanchaceaePedicularis procera Ref.
PlantaeOrobanchaceaePedicularis semitorta Ref.
PlantaeOrobanchaceaePedicularis spicata Ref.
PlantaeOrobanchaceaePedicularis striata Ref.
PlantaeOrobanchaceaePedicularis striata pall ssp. arachnoidea Ref.
PlantaeOrobanchaceaePedicularis striata subsp. arachnoides Ref.
PlantaeOrobanchaceaePedicularis torta Ref.
PlantaeOrobanchaceaePedicularis verticillata Ref.
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