input word = C00022887

Metabolite InformationStructural formula
Name Tunaxanthin A
Oxyxanthin 45
(3S,3'S,6S,6'S)-epsilon,epsilon-Carotene-3,3'-diol
Formula C40H56O2
Mw 568.42803103
CAS RN 71697-14-8
C_ID C00022887 ,
InChIKey BIPAHAFBQLWRMC-WXECVRDKNA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m1/s1
SMILES C1[C@@H](C=C([C@H](C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]1C(C[C@@H](C=C1C)O)(C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCichlidaeOreochromis niloticus Ref.
AnimaliaCoryphaenidaeCoryphaena hippurus Ref.
AnimaliaLabridaeOxyjulis californica Ref.
AnimaliaPercichthyidaeSiniperca scherzeri Ref.
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