input word = C00004138

Metabolite InformationStructural formula
Name Echioidin
Formula C22H22O10
Mw 446.12129692
CAS RN 6736-71-6
C_ID C00004138 ,
InChIKey NCWUWWMZUSHZKJ-OXFOAJKANA-N
InChICode InChI=1S/C22H22O10/c1-29-10-6-12(24)18-13(25)8-15(30-16(18)7-10)11-4-2-3-5-14(11)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccccc1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis echioides Ref.
PlantaeAcanthaceaeAndrographis rothii Ref.
PlantaeAcanthaceaeAndrographis viscosula Ref.
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