input word = C00020454

Metabolite InformationStructural formula
Name Rupin B
Formula C17H20O7
Mw 336.12090299
CAS RN 41653-85-4
C_ID C00020454 ,
InChIKey ZLXIFWIIPCMMHF-UHFFFAOYNA-N
InChICode InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12+,13+,15+,16-,17-/m1/s1
SMILES [C@H]12[C@H]3[C@]4([C@](C[C@H]([C@@H]1C(=C)C(=O)O2)OC(=O)C)(O)C)[C@H]([C@H]1[C@@]3(O1)C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia tripartita Ref.
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OrganismArtemisia tripartita
ReferenceIrwin,Phytochem.,12,(1973),863