input word = C00059731

Metabolite InformationStructural formula
Name (9-cis,9'-cis)-beta,beta-Carotene-4,4'-dione
Formula C40H52O2
Mw 564.3967309
CAS RN 135969-90-3
C_ID C00059731
InChIKey FDSDTBUPSURDBL-QGLVDCRNSA-N
InChICode InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-
SMILES CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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