input word = C00039376

Metabolite InformationStructural formula
Name Hispitolide E
Formula C20H26O6
Mw 362.17293856
CAS RN 928046-03-1
C_ID C00039376 ,
InChIKey NUZCELOKUVBKSF-ZGOUXMFKNA-N
InChICode InChI=1S/C20H26O6/c1-5-11(2)17(22)25-10-13-6-7-14-12(3)18(23)26-16(14)19(4)15(21)8-9-20(13,19)24/h5,13-14,16,24H,3,6-10H2,1-2,4H3/b11-5-/t13-,14+,16-,19+,20-/m1/s1
SMILES [C@@H]12[C@@H](CC[C@@H]([C@]3([C@]1(C(=O)CC3)C)O)COC(=O)/C(=C\C)/C)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium hispitum Ref.
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