input word = C00058653

Metabolite InformationStructural formula
Name Pedicularioside M
Formula C35H46O19
Mw 770.26332929
CAS RN 152406-38-7
C_ID C00058653
InChIKey NCXJQFUHMLGTIE-VMPITWQZSA-N
InChICode InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)32(51-16)49-13-23-29(53-24(40)8-5-17-4-7-20(38)22(12-17)47-2)30(54-34-31(45)35(46,14-36)15-50-34)28(44)33(52-23)48-10-9-18-3-6-19(37)21(39)11-18/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+
SMILES COc1cc(/C=C/C(=O)OC2C(COC3OC(C)C(O)C(O)C3O)OC(OCCc3ccc(O)c(O)c3)C(O)C2OC2OCC(O)(CO)C2O)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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