input word = C00050387

Metabolite InformationStructural formula
Name Neoporrigenin A
(-)-Neoporrigenin A
Formula C27H44O5
Mw 448.31887452
CAS RN 196607-76-8
C_ID C00050387 ,
InChIKey FYRLHXNMINIDCB-PVYLWSKGNA-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 C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)[C@@H](O)C[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 porrum Ref.
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