input word = C00023005

Metabolite InformationStructural formula
Name alpha-Doradecin
3'-Hydroxy-beta,epsilon-carotene-3,4-dione
Formula C40H52O3
Mw 580.39164553
CAS RN 31460-53-4
C_ID C00023005 ,
InChIKey GZLGWYFZFJRQEC-ROKXECAJNA-N
InChICode InChI=1S/C40H52O3/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/h11-25,27,34-35,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-/m1/s1
SMILES C1(=C(C(=O)C(=CC1(C)C)O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCyprinidaeCarassius auratus Ref.
AnimaliaSesarmidaeChiromantes haematocheir Ref.
AnimaliaSesarmidaeSesarma intermedia Ref.
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