input word = C00022910

Metabolite InformationStructural formula
Name (3S,3'R,4R)-beta,beta-Carotene-3,3',4-triol
Formula C40H56O3
Mw 584.42294565
CAS RN 123122-22-5
C_ID C00022910 ,
InChIKey RNQDFWZVKBSPOZ-CKUBJNJXNA-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
AnimaliaAcanthochitonidaeCryptochiton stelleri Ref.
AnimaliaAmblycipitidaeLiobagrus reinii Ref.
AnimaliaBagridaePelteobagrus nudiceps Ref.
AnimaliaBagridaePseudobagrus aurantiacus Ref.
AnimaliaMalapteruridaeMalapterurus electricus Ref.
AnimaliaMopaliidaePlaciphorella japonica Ref.
AnimaliaMopaliidaePlaciphorella stimpsoni Ref.
AnimaliaPlotosidaePlotosus lineatus Ref.
PlantaeAmaranthaceaeAcanthochiton defilippii Ref.
PlantaeAmaranthaceaeAcanthochiton rubrolineatus Ref.
--Liolophura japonica Ref.
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