input word = C00022938

Metabolite InformationStructural formula
Name 1,2-Epoxy-1,2,7,7',8,8'-hexahydro-psi,psi-carotene
Formula C40H60O
Mw 556.46441654
CAS RN 51598-37-9
C_ID C00022938 ,
InChIKey WQKGZVZKMBRSEI-KZFHKLGSNA-N
InChICode InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14+,23-15+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+/t39-/m1/s1
SMILES C(=C(\CC[C@@H]1C(C)(C)O1)/C)/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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