input word = C00057110

Metabolite InformationStructural formula
Name Physapruin A
Formula C28H38O7
Mw 486.26175357
CAS RN 155178-03-3
C_ID C00057110
InChIKey WDHSBASYULCSAT-INQWNKEXSA-N
InChICode InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pruinosa Ref.
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OrganismPhysalis pruinosa
ReferenceSakurai, K. et al., Chem. Pharm. Bull., 1976, 24, 1403-1405 (4-Hydroxywithanolide E)