input word = C00027127

Metabolite InformationStructural formula
Name Aristoloside
Formula C23H21NO13
Mw 519.10128977
CAS RN 84014-70-0
C_ID C00027127 ,
InChIKey GMKHAVDYTAXBIY-YCKJAUCJNA-N
InChICode InChI=1S/C23H21NO13/c1-33-13-3-8(36-23-20(28)19(27)18(26)15(6-25)37-23)2-10-9(13)4-12(24(31)32)16-11(22(29)30)5-14-21(17(10)16)35-7-34-14/h2-5,15,18-20,23,25-28H,6-7H2,1H3,(H,29,30)/t15-,18-,19+,20-,23-/m1/s1
SMILES c12cc(c3c(c1OCO2)c1c(cc3N(=O)=O)c(cc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia elegans Ref.
PlantaeAristolochiaceaeAristolochia manshuriensis Ref.
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