input word = C00003777

Metabolite InformationStructural formula
Name Lutein 5,6-epoxide
taraxanthin
Lutein epoxide
Formula C40H56O3
Mw 584.42294565
CAS RN 28368-08-3
C_ID C00003777 ,
InChIKey DYUUPIKEWLHQGQ-KNIRGMIANA-N
InChICode InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
SMILES [C@]12(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C=C/[C@@H]3C(C[C@H](C=C3C)O)(C)C)\C)/C)/C)C(C[C@@H](C[C@@]1(C)O2)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeAsteraceaeTussilago farfara Ref.
PlantaeBalsaminaceaeImpatiens nolitangere Ref.
PlantaeConvolvulaceaeCuscuta australis Ref.
PlantaeConvolvulaceaeIpomoea aquatica Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus wilsonii Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeUrticaceaeUrtica dioica Ref.
--Sohaghnum palustre Ref.
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OrganismCuscuta australis
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)