input word = C00039895

Metabolite InformationStructural formula
Name Ocimumoside A
(+)-Ocimumoside A
Formula C47H91NO9
Mw 813.66938351
CAS RN 956039-36-4
C_ID C00039895 ,
InChIKey BZZSCXPOEAFLES-CVJKJPPYNA-N
InChICode InChI=1S/C47H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(50)56-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)38-54-42(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h40-41,44-47,51-53H,3-39,48H2,1-2H3/t40-,41-,44-,45+,46-,47+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CN)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum sanctum Ref.
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