input word = C00002851

Metabolite InformationStructural formula
Name Plastoquinone 9
Plastoquinone
Plastoquinone A
Formula C53H80O2
Mw 748.6158318
CAS RN 4299-57-4
C_ID C00002851 ,
InChIKey FKUYMLZIRPABFK-IQSNHBBHSA-N
InChICode InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
SMILES C1(=C(C(=O)C=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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