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@H]1([C@@]2([C@H]3[C@@H](C1)C(=C)C[C@@H]([C@H]1[C@@H]3OC(=O)C1=C)OC(=O)[C@]1(C)CO1)CO2)O
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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OrganismAcroptilon repens
ReferenceWang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986)