input word = C00012071

Metabolite InformationStructural formula
Name Rubaferidin
Formula C22H30O5
Mw 374.20932407
CAS RN 70476-17-4
C_ID C00012071 ,
InChIKey TUSFMTSATFETGD-XZKLLUTONA-N
InChICode InChI=1S/C22H30O5/c1-13(2)18-17(26-21(25)15-7-9-16(23)10-8-15)12-14(3)6-5-11-22(4)20(27-22)19(18)24/h6-10,13,17-20,23-24H,5,11-12H2,1-4H3/b14-6+/t17-,18+,19-,20-,22-/m0/s1
SMILES C1C/C=C(/C[C@@H]([C@H]([C@@H]([C@H]2[C@]1(O2)C)O)C(C)C)OC(=O)c1ccc(cc1)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula rubroarenosa Ref.
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