input word = C00054802

Metabolite InformationStructural formula
Name Cepagenin
Formula C27H42O5
Mw 446.30322445
CAS RN 114317-59-8
C_ID C00054802
InChIKey MHNJMWLWHYJLNF-CALIDFKJSA-N
InChICode InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1CO[C@]2(C[C@@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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