input word = C00020583

Metabolite InformationStructural formula
Name Isoapressin
Formula C17H20O7
Mw 336.12090299
CAS RN 116384-08-8
C_ID C00020583 ,
InChIKey GWCCKOPANXZXHK-BEWBJZNPNA-N
InChICode InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15-,16+,17+/m0/s1
SMILES O1[C@@]2([C@H]3[C@@](O1)([C@]([C@@H](C[C@@H]1[C@@H]3OC(=O)C1=C)O)(C)OC(=O)C)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea ligustica Ref.
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