input word = C00030990

Metabolite InformationStructural formula
Name Phaeophytin a
Pheophytin a5
Pheophytin-a
Formula C55H74N4O5
Mw 870.5659215
CAS RN 603-17-8
C_ID C00030990 ,
InChIKey CQIKWXUXPNUNDV-JOKNFNEPNA-N
InChICode InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33+,37-,41+,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
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeLabiataeAjuga taiwanensis Ref.
PlantaeLauraceaeCinnamomum subavenium MIQ. Ref.
PlantaeMalvaceaeSida rhombifolia Ref.
PlantaePalmaeCocos nucifera Ref.
PlantaeTurneraceaeTurnera subulata Ref.
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