input word = C00040654

Metabolite InformationStructural formula
Name Withangulatin C
(-)-Withangulatin C
Formula C29H42O9
Mw 534.28288294
CAS RN 946074-79-9
C_ID C00040654 ,
InChIKey HHRFLEWOTNKYIA-SWJYFRBJNA-N
InChICode InChI=1S/C29H42O9/c1-14-11-20(37-23(32)15(14)2)26(5,33)27(34)13-22(36-6)28(35)17-12-21-29(38-21)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31,33-35H,7-13H2,1-6H3/t16-,17+,19-,20+,21+,22-,24-,25-,26+,27-,28-,29+/m0/s1
SMILES C1C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@]2([C@@](CC1)([C@](C[C@@H]2OC)(O)[C@]([C@H]1CC(=C(C(=O)O1)C)C)(C)O)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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OrganismPhysalis angulata
ReferenceDamu,J.Nat.Prod.,70,(2007),1146