input word = C00016902

Metabolite InformationStructural formula
Name Adenophostin B
Formula C18H28N5O19P3
Mw 711.05913322
CAS RN 149091-93-0
C_ID C00016902 ,
InChIKey ZYMMXLQDBUGSID-SWVNYVBUNA-N
InChICode InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11+,12+,13+,14+,17-,18+/m0/s1
SMILES CC(=O)OCC1O[C@H](O[C@@H]2C(OP(=O)(O)O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)C(O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium brevicompactum SANK 11991 Ref.
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