input word = C00023069

Metabolite InformationStructural formula
Name (2R,2'R,3S,3'S)-2,2',3,3'-Tetrahydroxy-beta,beta-carotene-4,4'-dione
Formula C40H52O6
Mw 628.37638939
CAS RN 72826-80-3
C_ID C00023069 ,
InChIKey YKKUKLUVLWQEBJ-MBLSKDSBNA-N
InChICode InChI=1S/C40H52O6/c1-25(17-13-19-27(3)21-23-31-29(5)33(41)35(43)37(45)39(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(42)36(44)38(46)40(32,9)10/h11-24,35-38,43-46H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+/t35-,36-,37+,38+/m1/s1
SMILES C1(=C(C(=O)[C@H]([C@@H](C1(C)C)O)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C(=O)[C@H]([C@@H](C1(C)C)O)O)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeRhizobium lupini Ref.
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OrganismRhizobium lupini
ReferenceBeyer,Helv. Chim. Acta,62,(1979),2551