input word = C00020595

Metabolite InformationStructural formula
Name Janerin
Formula C19H22O7
Mw 362.13655306
CAS RN 64205-84-1
C_ID C00020595 ,
InChIKey HEJVISJCOQSDIH-AQXYQJOWNA-N
InChICode InChI=1S/C19H22O7/c1-8-4-12(25-17(22)9(2)6-20)14-10(3)18(23)26-16(14)15-11(8)5-13(21)19(15)7-24-19/h11-16,20-21H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1
SMILES C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2C2OC(=O)C(=C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea janeri Ref.
PlantaeAsteraceaeCentaurea repens Ref.
PlantaeAsteraceaePleiotaxis rugosa Ref.
zoom in