input word = C00012333

Metabolite InformationStructural formula
Name Chrysanolide
Tamirin acetate
Formula C17H20O5
Mw 304.13107375
CAS RN 34226-88-5
C_ID C00012333 ,
InChIKey PWCPLQYPMUQINQ-WJKJYZARNA-N
InChICode InChI=1S/C17H20O5/c1-9-5-6-13(19)10(2)8-15-16(11(3)17(20)22-15)14(7-9)21-12(4)18/h7,14-16H,2-3,5-6,8H2,1,4H3/b9-7+/t14-,15-,16+/m0/s1
SMILES C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)/C=C(C)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysanthemum cineraiaefolium Ref.
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OrganismChrysanthemum cineraiaefolium
ReferenceDoskotch,Can.J.Chem.,49,(1971),2103