input word = C00050386

Metabolite InformationStructural formula
Name Neoagigenin
Formula C27H44O5
Mw 448.31887452
CAS RN 50863-63-3
C_ID C00050386 ,
InChIKey FYRLHXNMINIDCB-IYVNOMJTNA-N
InChICode InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/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)C)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 giganteum Ref.
PlantaeAlliaceaeAllium porrum Ref.
PlantaeAlliaceaeAllium turcomanicum Ref.
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