input word = C00049755

Metabolite InformationStructural formula
Name Triptobenzene A
Formula C20H28O3
Mw 316.20384476
CAS RN 170557-25-2
C_ID C00049755 ,
InChIKey TZJRHFCKOBGRSH-ZHVKNVRPNA-N
InChICode InChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(18(13)23)6-8-16-19(15,3)10-9-17(22)20(16,4)11-21/h5,7,12,16,21,23H,6,8-11H2,1-4H3/t16-,19-,20-/m1/s1
SMILES [C@@]12([C@@H](CCc3c1ccc(c3O)C(C)C)[C@](C(=O)CC2)(CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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