input word = C00022842

Metabolite InformationStructural formula
Name Isoagelaxanthin A
beta,khi-Caroten-3-ol
Formula C40H52O
Mw 548.40181628
CAS RN 83572-78-5
C_ID C00022842 ,
InChIKey NESMADWTULLJTN-XCPXDVNQNA-N
InChICode InChI=1S/C40H52O/c1-29(17-13-19-31(3)21-24-37-25-23-33(5)35(7)36(37)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-34(6)27-38(41)28-40(39,9)10/h11-26,38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t38-/m1/s1
SMILES C1[C@@H](CC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c1c(c(c(cc1)C)C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella vulgata Ref.
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