input word = C00045685

Metabolite InformationStructural formula
Name Bitalin A-12-O-beta-D-glucopyranoside
Formula C19H24O8
Mw 380.14711774
CAS RN 378254-26-3
C_ID C00045685 ,
InChIKey TTWVIHLNMJFBMC-CVKQMAJJNA-N
InChICode InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3/t14-,15-,16-,17+,18-,19-/m1/s1
SMILES C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc(C(C)=O)ccc2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelichrysum italicum Ref.
zoom in