input word = C00054152

Metabolite InformationStructural formula
Name Asperagenin
Formula C27H44O5
Mw 448.31887452
CAS RN 17305-15-6
C_ID C00054152
InChIKey ILVZNZHXRYGRGV-UYLOAILUSA-N
InChICode InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25+,26-,27+/m0/s1
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@](C)(O)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax aspera Ref.
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