input word = C00002084

Metabolite InformationStructural formula
Name Doronine
Formula C21H30ClNO8
Mw 459.16599465
CAS RN 60367-00-2
C_ID C00002084 ,
InChIKey VGRSISYREBBIAL-PBTLTADBNA-N
InChICode InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1
SMILES C1(=O)C2=CCN(CC[C@H]1OC(=O)[C@@](C[C@H]([C@@](C(=O)OC2)(C)OC(=O)C)C)(O)[C@@H](C)Cl)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDoronicum macrophyllum Ref.
PlantaeAsteraceaeSenecio doronicum Ref.
PlantaeAsteraceaeSenecio othonnae Ref.
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