input word = C00022935

Metabolite InformationStructural formula
Name 1',2'-Epoxy-1',2'-dihydro-beta,psi-carotene
Formula C40H56O
Mw 552.43311641
CAS RN 58556-43-7
C_ID C00022935 ,
InChIKey SELMQMFULRQVFS-AACGPBLINA-N
InChICode InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t38-/m1/s1
SMILES C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CC[C@@H]1C(C)(C)O1)\C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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