input word = C00023004

Metabolite InformationStructural formula
Name (3S,3'R)-Adonixanthin 3-beta-D-glucoside
(3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one
Formula C46H64O8
Mw 744.46011902
CAS RN 174024-82-9
C_ID C00023004 ,
InChIKey LOISLDIJCYHBBP-WVJMZSLTNA-N
InChICode InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39+,41-,42+,43-,44-/m1/s1
SMILES C1(=C(C(=O)[C@H](CC1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C[C@H](CC1(C)C)O)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeAgrobacterium aurantiacum Ref.
zoom in