input word = C00023027

Metabolite InformationStructural formula
Name (2R,2'R,3S,3'R)-2,2',3,3'-Tetrahydroxy-beta,beta-caroten-4-one
Formula C40H54O5
Mw 614.39712483
CAS RN 63109-36-4
C_ID C00023027 ,
InChIKey XJWXMPXLYUAWJI-FVTRKYJXNA-N
InChICode InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36-,37+,38+/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/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeRhizobium lupini Ref.
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