input word = C00026614

Metabolite InformationStructural formula
Name Aspochalamin B
Formula C44H55N5O6
Mw 749.41523453
CAS RN 847849-16-5
C_ID C00026614 ,
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 CCC(C)[C@@H]1NC(=O)[C@@]23C(=O)CC(Nc4ccccc4C(=O)N[C@@H](C)C(=O)N/C=C/c4c[nH]c5ccccc45)C(O)C(O)CC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niveus Ref.
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