input word = C00030991

Metabolite InformationStructural formula
Name Pheophytin-b
Formula C55H72N4O6
Mw 884.54518606
CAS RN 3147-18-0
C_ID C00030991 ,
InChIKey ZQGOYEJYAYJFTL-UEDKMTNCNA-N
InChICode InChI=1S/C55H72N4O6/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/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,52-50-/t32-,33-,36+,40+,51-/m1/s1
SMILES C12=N/C(=C\c3c(c(c([nH]3)/C=C\3/[C@H]([C@@H](C(=N3)C3=c4c(c(/c(=C/2)/[nH]4)C)C(=O)[C@@H]3C(=O)OC)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)/C(=C1CC)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
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