input word = C00037917

Metabolite InformationStructural formula
Name Thymoquinol 5-O-beta-glucopyranoside
(-)-Thymoquinol 5-O-beta-glucopyranoside
Formula C16H24O7
Mw 328.15220312
CAS RN 95645-53-7
C_ID C00037917 ,
InChIKey KSNLTHGWURXRJK-XWCHTRRFNA-N
InChICode InChI=1S/C16H24O7/c1-7(2)9-5-10(18)8(3)4-11(9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1c(cc(c(c1)C)O)C(C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOriganum svriacum Ref.
PlantaeLabiataeOriganum syriacum Ref.
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