input word = C00057086

Metabolite InformationStructural formula
Name Physagulin E
Formula C36H50O14
Mw 706.32005631
CAS RN 148054-13-1
C_ID C00057086
InChIKey FOBLFFYOXRPILL-UHFFFAOYSA-N
InChICode InChI=1S/C36H50O14/c1-16-19(15-47-32-30(43)29(42)28(41)24(14-37)50-32)11-23(49-31(16)44)17(2)21-13-27(48-18(3)38)36(46)22-12-26(40)35(45)9-6-7-25(39)34(35,5)20(22)8-10-33(21,36)4/h6-7,13,17,20,22-24,26-30,32,37,40-43,45-46H,8-12,14-15H2,1-5H3
SMILES O=C1C2(C)C(C(O)CC3C2CCC4(C)C3(O)C(OC(C)=O)C=C4C(C)C5OC(C(C)=C(COC6OC(CO)C(O)C(O)C6O)C5)=O)(O)CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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