input word = C00036228

Metabolite InformationStructural formula
Name Theraphin A
(-)-Theraphin A
Formula C21H26O6
Mw 374.17293856
CAS RN 625437-88-9
C_ID C00036228 ,
InChIKey PLWWPOKSAPXDEJ-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O6/c1-6-14(22)13-9-15(23)27-21-16(13)19(25)12(8-7-10(2)3)20(26)17(21)18(24)11(4)5/h7,9,11,14,22,25-26H,6,8H2,1-5H3/t14-/m0/s1
SMILES c1(c(c(c2c(c1C(=O)C(C)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