input word = C00057506

Metabolite InformationStructural formula
Name Physalin E acetate
Formula C30H34O12
Mw 586.20502655
CAS RN 70255-21-9
C_ID C00057506
InChIKey RDXUOLZCAJWFGV-UHFFFAOYSA-N
InChICode InChI=1S/C30H34O12/c1-13(31)39-16-10-27(36)8-5-6-17(32)25(27,3)14-7-9-28(37)23(35)41-26(4)18-11-24(2)15(22(34)40-18)12-38-29(19(14)16)21(33)20(24)30(26,28)42-29/h5-6,14-16,18-20,36-37H,7-12H2,1-4H3
SMILES CC(=O)OC1CC2(O)CC=CC(=O)C2(C)C2CCC3(O)C(=O)OC4(C)C5CC6(C)C(COC7(OC34C6C7=O)C12)C(=O)O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubescens Ref.
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OrganismPhysalis pubescens
ReferenceMatsuura, T. et al., JCS(C), 1970, 664-670 (struct)