input word = C00001666

Metabolite InformationStructural formula
Name Spirasine I
Formula C22H29NO3
Mw 355.2147438
CAS RN 106777-13-3
C_ID C00001666 ,
InChIKey BDYVYNKEWLPLCY-ZXHCZVCQNA-N
InChICode InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h9,13-14,16-18,25H,3-8,10-11H2,1-2H3/t13-,14+,16+,17+,18-,19+,20-,21+,22-/m0/s1
SMILES C1C[C@@]2([C@@H]3[C@@]4(C1)[C@]1([C@]5(CC3=O)C=C([C@H](C1)C[C@@H]5[C@H]4N1[C@H]2OCC1)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica var. fortunei Ref.
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