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 CC1(CC2C3(C)OC4=O)C5C3(O6)C4(O)CCC7C(C(OC(C)=O)CC(CC=C8)(O)C7(C)C8=O)C6(C5=O)OCC1C(O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubescens Ref.
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