input word = C00040556

Metabolite InformationStructural formula
Name Trigonochinene B
(-)-Trigonochinene B
Formula C21H28O4
Mw 344.19875938
CAS RN 1053209-95-2
C_ID C00040556 ,
InChIKey ZFLNGJFWUHGMKC-SSGPLINSNA-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+/m1/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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OrganismTrigonostemon chinensis
ReferenceYin,J.Nat.Prod.,71,(2008),1414