input word = C00026613

Metabolite InformationStructural formula
Name Aspochalamin A
Formula C44H55N5O6
Mw 749.41523453
CAS RN 847849-15-4
C_ID C00026613 ,
InChIKey NDXCSYQJFYWWLU-ZJOCLEJDNA-N
InChICode InChI=1S/C44H55N5O6/c1-7-25(3)39-38-27(5)26(4)21-30-20-24(2)16-17-36(50)40(52)35(22-37(51)44(30,38)43(55)49-39)48-34-15-11-9-13-32(34)42(54)47-28(6)41(53)45-19-18-29-23-46-33-14-10-8-12-31(29)33/h8-15,18-21,23,25,27-28,30,35-36,38-40,46,48,50,52H,7,16-17,22H2,1-6H3,(H,45,53)(H,47,54)(H,49,55)/b19-18+,24-20+/t25-,27-,28+,30+,35-,36-,38+,39+,40-,44-/m1/s1
SMILES [C@@H]1([C@@H]2[C@]3([C@H](C=C1C)/C=C(/CC[C@H]([C@@H]([C@@H](CC3=O)Nc1ccccc1C(=O)N[C@H](C(=O)N/C=C\c1c3c([nH]c1)cccc3)C)O)O)\C)C(=O)N[C@H]2[C@H](C)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niveus Ref.
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