input word = C00056250

Metabolite InformationStructural formula
Name Triptobenzene Q
Formula C21H28O3
Mw 328.20384476
CAS RN 1239966-00-7
C_ID C00056250
InChIKey KQXBCLPCINRICY-WJPUGNRLSA-N
InChICode InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)22)7-8-17-13(3)15(20(23)24-5)10-11-21(17,18)4/h6,9,12,15,17,22H,3,7-8,10-11H2,1-2,4-5H3/t15-,17-,21-/m0/s1
SMILES C=C1[C@@H](C(=O)OC)CC[C@]2(C)c3ccc(C(C)C)c(O)c3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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