input word = C00054521

Metabolite InformationStructural formula
Name 5,6:5',8'-Diepoxy-5,5',6,8'-tetrahydro-beta,beta-caroten-3-ol
Formula C40H56O3
Mw 584.42294565
CAS RN 55965-22-5
C_ID C00054521
InChIKey RXRDUVZIGPRFRB-YLFACGADSA-N
InChICode InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-25-40-37(7,8)27-33(41)28-39(40,10)43-40)16-11-12-17-30(2)20-14-21-32(4)34-26-35-36(5,6)23-15-24-38(35,9)42-34/h11-14,16-22,25-26,33-34,41H,15,23-24,27-28H2,1-10H3/b12-11+,18-13+,20-14+,25-22+,29-16+,30-17+,31-19+,32-21+
SMILES CC(/C=C/C=C(C)/C=C/C12OC1(C)CC(O)CC2(C)C)=CC=CC=C(C)C=CC=C(/C)C1C=C2C(C)(C)CCCC2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus persica Ref.
PlantaeRutaceaeCitrus sinensis Ref.
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OrganismCitrus sinensis
ReferenceGross, J. et al., J. Food Sci., 1971, 36, 466 (isol)