input word = C00057822

Metabolite InformationStructural formula
Name Viteagnusin H
Formula C23H36O6
Mw 408.25118888
CAS RN 1206489-95-3
C_ID C00057822
InChIKey GUYCSTKDTXJMPS-GHDRYYTFSA-N
InChICode InChI=1S/C23H36O6/c1-14-12-17(28-15(2)24)19-21(3,4)9-7-10-22(19,5)23(14,26)11-8-16-13-18(25)29-20(16)27-6/h13-14,17,19-20,26H,7-12H2,1-6H3/t14-,17-,19+,20?,22+,23-/m1/s1
SMILES COC1OC(=O)C=C1CC[C@@]1(O)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex agnus-castus Ref.
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