input word = C00050641

Metabolite InformationStructural formula
Name 18-Hydroxywithanolide D
Formula C28H38O7
Mw 486.26175357
CAS RN 296268-74-1
C_ID C00050641
InChIKey RWEADYYIUOTOIX-UUWJVLLBNA-N
InChICode InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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OrganismPhysalis philadelphica
ReferenceKinghorn, et al., Planta Med, 70, (2004), 691