input word = C00064301

Metabolite InformationStructural formula
Name Thymoquinol-2,5-O-beta-diglucopyranoside
Formula C22H34O12
Mw 490.20502655
CAS RN 359875-76-6
C_ID C00064301
InChIKey IXJLUOVZXHECLS-OALZDZJCSA-N
InChICode InChI=1S/C22H34O12/c1-8(2)10-5-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)4-12(10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
SMILES Cc1cc(OC2OC(CO)C(O)C(O)C2O)c(C(C)C)cc1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOriganum vulgare Ref.
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