input word = C00049756

Metabolite InformationStructural formula
Name Triptobenzene H
Formula C21H28O4
Mw 344.19875938
CAS RN 146900-55-2
C_ID C00049756 ,
InChIKey NZQIHCWNAMEWEW-SYAPSAMCNA-N
InChICode InChI=1S/C21H28O4/c1-11(2)15-10-17(22)18-14(19(15)25-5)6-7-16-12(3)13(20(23)24)8-9-21(16,18)4/h10-11,16,22H,6-9H2,1-5H3,(H,23,24)/t16-,21-/m0/s1
SMILES COc1c(C(C)C)cc(O)c2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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