input word = C00056253

Metabolite InformationStructural formula
Name Triptobenzene Y
Formula C20H28O3
Mw 316.20384476
CAS RN 1325666-08-7
C_ID C00056253
InChIKey FLXANJGTZPXUBO-PIKOESSRSA-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/h5,7,11-12,16-17,22-23H,6,8-10H2,1-4H3/t16-,17+,19-,20-/m1/s1
SMILES CC(C)c1ccc2c(c1O)CC[C@H]1[C@@](C)(C=O)[C@@H](O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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