input word = C00016901

Metabolite InformationStructural formula
Name Adenophostin A
Formula C16H26N5O18P3
Mw 669.04856854
CAS RN 149091-92-9
C_ID C00016901 ,
InChIKey RENVITLQVBEFDT-KQRHNTBSNA-N
InChICode InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8+,9+,10-,11-,12-,15+,16-/m1/s1
SMILES n1cnc2c(c1N)ncn2[C@@H]1[C@@H]([C@H]([C@@H](CO)O1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)CO)OP(=O)(O)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium brevicompactum SANK 11991 Ref.
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