input word = C00022911

Metabolite InformationStructural formula
Name (3S,4S,3'R)-beta,beta-Carotene-3,4,3'-triol
Formula C40H56O3
Mw 584.42294565
CAS RN 123122-23-6
C_ID C00022911 ,
InChIKey RNQDFWZVKBSPOZ-UJPZDSPCNA-N
InChICode InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+,38+/m1/s1
SMILES C1[C@@H]([C@H](C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C[C@H](CC1(C)C)O)C)\C)\C)/C)/C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBagridaePseudobagrus fulvidraco Ref.
AnimaliaSalmonidaeOncorhynchus keta Ref.
AnimaliaSalmonidaeOncorhynchus kisutch Ref.
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