input word = C00011294

Metabolite InformationStructural formula
Name Cryptoechinulin B
Formula C43H49N3O5
Mw 687.3672217
CAS RN
C_ID C00011294 ,
InChIKey DTORJNDWFNFRER-BPSKCCMSNA-N
InChICode InChI=1S/C43H49N3O5/c1-9-42(7,8)39-33(31-18-14-28(13-10-25(2)3)20-35(31)44-39)22-36-40(50)46-43(41(51)45-36)23-27(6)12-16-30(43)17-19-32-34(24-47)38(49)29(21-37(32)48)15-11-26(4)5/h9-12,14,16-22,24,27,30,44,48-49H,1,13,15,23H2,2-8H3,(H,45,51)(H,46,50)/b19-17+,36-22-/t27-,30-,43+/m1/s1
SMILES c1c2c(ccc1CC=C(C)C)c(c([nH]2)C(C)(C)C=C)/C=C/1\NC(=O)[C@]2(NC1=O)C[C@@H](C=C[C@@H]2/C=C/c1c(c(c(cc1O)CC=C(C)C)O)C=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeEurotium amstelodami Ref.
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