input word = C00039017

Metabolite InformationStructural formula
Name Dictamnusine
Formula C21H28O10
Mw 440.16824712
CAS RN 1009320-60-8
C_ID C00039017 ,
InChIKey XAOOOVFRRCYNSK-XTBHIYKYNA-N
InChICode InChI=1S/C21H28O10/c1-9-11(29-20-17(26)16(25)14(23)12(7-22)30-20)3-5-21(2)13(9)15(24)19(27)31-18(21)10-4-6-28-8-10/h4,6,8-9,11-12,14,16-18,20,22-26H,3,5,7H2,1-2H3/t9-,11-,12-,14-,16+,17-,18+,20-,21-/m1/s1
SMILES C1(=O)O[C@H]([C@]2(C(=C1O)[C@@H]([C@@H](CC2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeDictamnus dasycarpus Ref.
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