input word = C00057821

Metabolite InformationStructural formula
Name Viteagnusin G
Formula C23H38O7
Mw 426.26175357
CAS RN 1206489-94-2
C_ID C00057821
InChIKey GSXSRLNHVCOZGT-BETHHPKWSA-N
InChICode InChI=1S/C23H38O7/c1-13-12-15(28-14(2)24)16-20(3,4)8-7-9-21(16,5)23(13)11-10-22(26)17(25)18(27-6)29-19(22)30-23/h13,15-19,25-26H,7-12H2,1-6H3/t13-,15-,16+,17-,18-,19-,21+,22-,23-/m1/s1
SMILES CO[C@@H]1O[C@@H]2O[C@]3(CC[C@@]2(O)[C@@H]1O)[C@H](C)C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex agnus-castus Ref.
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