input word = C00029723

Metabolite InformationStructural formula
Name Aristophyll-C
Formula C53H70N4O5
Mw 842.53462137
CAS RN 236734-78-4
C_ID C00029723 ,
InChIKey WSSDCOMNIRJABY-DTVFNRRTNA-N
InChICode InChI=1S/C53H70N4O5/c1-12-38-34(8)41-27-43-36(10)40(23-24-47(58)61-26-25-33(7)22-16-21-32(6)20-15-19-31(5)18-14-17-30(3)4)50(56-43)49-51-48(52(59)62-53(49)60)37(11)44(57-51)29-46-39(13-2)35(9)42(55-46)28-45(38)54-41/h12,25,27-32,36,40,54,57H,1,13-24,26H2,2-11H3/b33-25+,41-27-,42-28-,43-27-,44-29-,45-28-,46-29-,50-49+/t31-,32-,36+,40-/m1/s1
SMILES c12c(c(c([nH]1)/C=C\1/C(=C(C(=N1)/C=c\1/c(c3c(=C(C4=N/C(=C\2)/[C@H]([C@H]4CCC(=O)OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C)C(=O)OC3=O)[nH]1)C)CC)C)C=C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum subavenium MIQ. Ref.
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