input word = C00056251

Metabolite InformationStructural formula
Name Triptobenzene R
Formula C20H28O2
Mw 300.20893014
CAS RN 1428933-48-5
C_ID C00056251
InChIKey JGPOWYPHMGZEQC-MISYRCLQSA-N
InChICode InChI=1S/C20H28O2/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)10-9-18(22)20(17,4)12-21/h5,7,11,13,17,21H,6,8-10,12H2,1-4H3/t17-,19-,20-/m1/s1
SMILES CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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