input word = C00037916

Metabolite InformationStructural formula
Name Thymoquinol 2-O-beta-glucopyranoside
(-)-Thymoquinol 2-O-beta-glucopyranoside
Formula C16H24O7
Mw 328.15220312
CAS RN 95645-52-6
C_ID C00037916 ,
InChIKey XFPSRAYOBUHKRV-XWCHTRRFNA-N
InChICode InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)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 Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOriganum svriacum Ref.
PlantaeLabiataeOriganum syriacum Ref.
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