input word = C00022914

Metabolite InformationStructural formula
Name (3S,3'S,4R,6'R)-beta,epsilon-Carotene-3,3',4-triol
Formula C40H56O3
Mw 584.42294565
CAS RN 253264-73-2
C_ID C00022914 ,
InChIKey RDHCMKIXMMGSAD-HZRMIJTCNA-N
InChICode InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37-38,41-43H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37+,38-/m1/s1
SMILES C1[C@@H]([C@@H](C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(C[C@@H](C=C1C)O)(C)C)\C)\C)/C)/C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCyprinidaeCarassius auratus Ref.
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