input word = C00022839

Metabolite InformationStructural formula
Name Agelaxanthin A
(3R)-beta,phi-Caroten-3-ol
Formula C40H52O
Mw 548.40181628
CAS RN 65634-07-3
C_ID C00022839 ,
InChIKey QKSYRDNACIUQLX-ROYHWZLPNA-N
InChICode InChI=1S/C40H52O/c1-29(17-13-19-31(3)21-25-38-34(6)24-23-33(5)36(38)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-35(7)27-37(41)28-40(39,9)10/h11-26,37,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-/m1/s1
SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2c(C)ccc(C)c2C)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas schmidti Ref.
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