input word = C00035771

Metabolite InformationStructural formula
Name Triptobenzene O
(+)-Triptobenzene O
Formula C21H30O4
Mw 346.21440945
CAS RN 767340-15-8
C_ID C00035771 ,
InChIKey HDOLTIKEXDYBAN-GAENOXONNA-N
InChICode InChI=1S/C21H30O4/c1-19(2,25-5)15-8-7-14-13(18(15)24)6-9-16-20(14,3)11-10-17(23)21(16,4)12-22/h7-8,16,22,24H,6,9-12H2,1-5H3/t16-,20-,21-/m1/s1
SMILES COC(C)(C)c1ccc2c(c1O)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium doianum Ref.
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