input word = C00007881

Metabolite InformationStructural formula
Name Isosalipurposide
Formula C21H22O10
Mw 434.12129692
CAS RN 4547-85-7
C_ID C00007881 ,
InChIKey WQCWELFQKXIPCN-HDGBDMRKNA-N
InChICode InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20+,21-/m1/s1
SMILES c1(cc(c(c(c1)O)C(=O)/C=C/c1ccc(cc1)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAsystasia gangetica Ref.
PlantaeAcanthaceaeRuellia spp Ref.
PlantaeAsteraceaeHelichrysum arenarium Ref.
PlantaeAsteraceaeHelichrysum bracteatum Ref.
PlantaeAsteraceaeHelichrysum graveolen Ref.
PlantaeAsteraceaeHelichrysum maracandicum Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeFabaceaeAcacia dealbata Ref.
PlantaeFabaceaeAcacia saligna Ref.
PlantaeGesneriaceaeAeschynanthus spp. Ref.
PlantaeGesneriaceaeCyrtandra pendula Ref.
PlantaeNymphaeaceaeNymphaea caerulea Ref.
PlantaeOnagraceaeOenothera hookeri Ref.
PlantaePaeoniaceaePaeonia potaninii var. trollioides Ref.
PlantaeRosaceaePotentilla spp. Ref.
PlantaeSalicaceaeSalix arbusculoides Ref.
PlantaeSalicaceaeSalix interior Ref.
PlantaeSalicaceaeSalix purpurea Ref.
--Macropidia fuliginosa Ref.
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