input word = C00056252

Metabolite InformationStructural formula
Name Triptobenzene S
Formula C20H26O3
Mw 314.1881947
CAS RN 1428933-49-6
C_ID C00056252
InChIKey QMDCLEYBHPVIBC-FQEVSTJZSA-N
InChICode InChI=1S/C20H26O3/c1-11(2)14-10-17(22)18-13(19(14)23-5)6-7-15-12(3)16(21)8-9-20(15,18)4/h10-11,22H,6-9H2,1-5H3/t20-/m0/s1
SMILES COc1c(C(C)C)cc(O)c2c1CCC1=C(C)C(=O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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