input word = C00050398

Metabolite InformationStructural formula
Name Porrigenin B
(-)-Porrigenin B
Formula C27H42O5
Mw 446.30322445
CAS RN 196607-73-5
C_ID C00050398 ,
InChIKey BTSHHJQHTVNSLW-HZAOIJKANA-N
InChICode InChI=1S/C27H42O5/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/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,23+,24+,25+,26-,27-/m1/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(CC(=O)[C@@H](C1)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium porrum Ref.
zoom in