input word = C00024989

Metabolite InformationStructural formula
Name Spiramine O
Formula C21H31NO3
Mw 345.23039386
CAS RN 137760-61-3
C_ID C00024989 ,
InChIKey NVVATEFXXWYTJP-VUHWIJLVNA-N
InChICode InChI=1S/C21H31NO3/c1-12-13-5-8-21(17(12)24)15(9-13)20-7-4-6-19(2,14(20)10-16(21)23)18(25-3)22-11-20/h11,13-18,23-24H,1,4-10H2,2-3H3/t13-,14+,15-,16+,17-,18+,19?,20+,21+/m0/s1
SMILES C=C1[C@H]2CC[C@@]3([C@H](O)C[C@H]4[C@]5(C=NC(OC)[C@]4(C)CCC5)[C@@H]3C2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica var.acuminata Ref.
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