input word = C00041366

Metabolite InformationStructural formula
Name Atroviolacegenin
(-)-Atroviolacegenin
Formula C27H44O6
Mw 464.31378914
CAS RN 878293-89-1
C_ID C00041366 ,
InChIKey ZLPWWTIBBVLQOC-AJDSWRSENA-N
InChICode InChI=1S/C27H44O6/c1-14-24-23(33-27(14)7-4-15(12-28)13-32-27)10-18-16-8-20(29)19-9-21(30)22(31)11-26(19,3)17(16)5-6-25(18,24)2/h14-24,28-31H,4-13H2,1-3H3/t14-,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25-,26+,27+/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@H](CC3)CO)C)C[C@H]([C@@H]1[C@@]2(C[C@H]([C@@H](C1)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium atroviolaceum Ref.
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