input word = C00001667

Metabolite InformationStructural formula
Name Spiredine
Formula C22H27NO3
Mw 353.19909374
CAS RN 60062-45-5
C_ID C00001667 ,
InChIKey SMCYLHSXVDDYCA-XJZSKYEQNA-N
InChICode InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13-,16-,17-,18-,19+,20-,21+,22+/m1/s1
SMILES C1C[C@@]2([C@@H]3[C@@]4(C1)[C@H]1[C@]5(CC3=O)CC(=C)[C@H](C1=O)C[C@@H]5[C@H]4N1[C@H]2OCC1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum sessile Ref.
PlantaeRosaceaeSpiraea japonica var. fortunei Ref.
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OrganismSpiraea japonica var. fortunei
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter19