input word = C00020737

Metabolite InformationStructural formula
Name Repin
Formula C19H22O7
Mw 362.13655306
CAS RN 11024-67-2
C_ID C00020737 ,
InChIKey HQZJODBJOBTCPI-ZCKLSRGANA-N
InChICode InChI=1S/C19H22O7/c1-8-4-11(25-17(22)18(3)6-23-18)13-9(2)16(21)26-15(13)14-10(8)5-12(20)19(14)7-24-19/h10-15,20H,1-2,4-7H2,3H3/t10-,11-,12-,13-,14-,15-,18-,19+/m0/s1
SMILES C=C1C(=O)OC2C1[C@@H](OC(=O)C1(C)CO1)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcroptilon repens Ref.
PlantaeAsteraceaeCentaurea babylonica Ref.
PlantaeAsteraceaeCentaurea hyrcanica Ref.
PlantaeAsteraceaeCentaurea repens Ref.
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