input word = C00058654

Metabolite InformationStructural formula
Name Pedicularioside N
Formula C36H48O19
Mw 784.27897935
CAS RN 152406-39-8
C_ID C00058654
InChIKey IBZBYLPAHLAUMG-SRTBJIRKSA-N
InChICode InChI=1S/C36H48O19/c1-17-26(41)27(42)28(43)33(52-17)50-14-24-30(54-25(40)9-6-18-4-7-20(38)23(13-18)48-3)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-22(47-2)21(39)12-19/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3/b9-6+/t17-,24+,26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36+/m0/s1
SMILES COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)cc1O
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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