input word = C00039896

Metabolite InformationStructural formula
Name Ocimumoside B
(+)-Ocimumoside B
Formula C47H88O15
Mw 892.61232214
CAS RN 956039-38-6
C_ID C00039896 ,
InChIKey LGYCXVJXWRPVSQ-YGLYZNPSNA-N
InChICode InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum sanctum Ref.
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