input word = C00007376

Metabolite InformationStructural formula
Name Chlorophyll b
Chlorophyll beta
Formula C55H70MgN4O6
Mw 906.51457787
CAS RN 519-62-0
C_ID C00007376 ,
InChIKey NSMUHPMZFPKNMZ-ZIWCHIMKNA-M
InChICode InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51+;/m1./s1
SMILES n12c3c(c(c1/C=C/1\N=C(C4=c5n(/c(=C\C6=N/C(=C\3)/C(=C6CC)C=O)/c(c5C(=O)[C@H]4C(=O)OC)C)[Mg]2)[C@H]([C@@H]1C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismCoffea arabica
ReferenceSimkin, A. J. et al., J. Plant Physiol., 165, (2008), 1087-1106.