input word = C00040555

Metabolite InformationStructural formula
Name Trigonochinene A
(+)-Trigonochinene A
Formula C21H28O4
Mw 344.19875938
CAS RN 1053209-93-0
C_ID C00040555 ,
InChIKey ZFLNGJFWUHGMKC-YWKBBKSANA-N
InChICode InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20+,21+/m0/s1
SMILES [C@H]1(CC[C@@]2(C(=CC(=O)C(=C2C=C)C)[C@@]1(CCC(=O)OC)C)O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon chinensis Ref.
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