input word = C00036229

Metabolite InformationStructural formula
Name Theraphin B
(-)-Theraphin B
Formula C22H28O6
Mw 388.18858863
CAS RN 625437-89-0
C_ID C00036229 ,
InChIKey LVYGPLHUPURZDF-UUDOUDNBNA-N
InChICode InChI=1S/C22H28O6/c1-6-12(5)19(25)18-21(27)13(9-8-11(3)4)20(26)17-14(15(23)7-2)10-16(24)28-22(17)18/h8,10,12,15,23,26-27H,6-7,9H2,1-5H3/t12-,15+/m1/s1
SMILES c1(c(c(c2c(c1C(=O)[C@@H](CC)C)oc(=O)cc2[C@H](CC)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeKayea assamica Ref.
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OrganismKayea assamica
ReferenceLee,Phytochem.,64,(2003),535