input word = C00026615

Metabolite InformationStructural formula
Name Aspochalamin C
Formula C44H55N5O5
Mw 733.4203199
CAS RN 847849-17-6
C_ID C00026615 ,
InChIKey QLLRYGJJLQQPGI-UNICHHCGNA-N
InChICode InChI=1S/C44H55N5O5/c1-7-26(3)40-39-28(5)27(4)22-31-21-25(2)13-12-18-37(50)36(23-38(51)44(31,39)43(54)49-40)48-35-17-11-9-15-33(35)42(53)47-29(6)41(52)45-20-19-30-24-46-34-16-10-8-14-32(30)34/h8-11,14-17,19-22,24,26,28-29,31,36-37,39-40,46,48,50H,7,12-13,18,23H2,1-6H3,(H,45,52)(H,47,53)(H,49,54)/b20-19+,25-21+/t26-,28+,29-,31-,36+,37+,39-,40-,44+/m0/s1
SMILES [C@@H]1([C@@H]2[C@]3([C@H](C=C1C)/C=C(/CCC[C@H]([C@@H](CC3=O)Nc1ccccc1C(=O)N[C@H](C(=O)N/C=C/c1c3c([nH]c1)cccc3)C)O)\C)C(=O)N[C@H]2[C@@H](C)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niveus Ref.
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