input word = C00021690

Metabolite InformationStructural formula
Name Hysterin acetate
Formula C19H26O6
Mw 350.17293856
CAS RN 5208-77-5
C_ID C00021690 ,
InChIKey IFKXXSFDNAVPTP-IIUYJYFFNA-N
InChICode InChI=1S/C19H26O6/c1-10-14-6-5-13(9-23-11(2)20)15-7-8-16(24-12(3)21)19(15,4)17(14)25-18(10)22/h13-17H,1,5-9H2,2-4H3/t13-,14+,15+,16-,17-,19+/m1/s1
SMILES [C@@H]12[C@]([C@H]3[C@@H](CC[C@@H]1COC(=O)C)C(=C)C(=O)O3)([C@@H](CC2)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium bipinnatifidum Ref.
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