input word = C00058651

Metabolite InformationStructural formula
Name Pedicularioside H
Formula C36H48O19
Mw 784.27897935
CAS RN 138989-16-9
C_ID C00058651
InChIKey CPJOAPUBOVBXHM-RMKNXTFCSA-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)22(12-18)47-2)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-21(39)23(13-19)48-3/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3/b9-6+
SMILES COc1cc(/C=C/C(=O)OC2C(COC3OC(C)C(O)C(O)C3O)OC(OCCc3ccc(O)c(OC)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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