input word = C00011255

Metabolite InformationStructural formula
Name Okaramine B
Formula C33H34N4O5
Mw 566.25292023
CAS RN 117332-63-5
C_ID C00011255 ,
InChIKey PNJDFZNVNWQTFD-LFIXGZGTNA-N
InChICode InChI=1S/C33H34N4O5/c1-18-30(4,5)36-23-14-10-8-12-21(23)31(40)27(42-6)32(41)28(39)35-16-15-29(2,3)25-20(19-11-7-9-13-22(19)34-25)17-24(35)26(38)37(32)33(18,31)36/h7-18,27,34,40-41H,1-6H3/b16-15-,24-17-/t18-,27+,31+,32+,33+/m1/s1
SMILES c1c2c(ccc1)c1c([nH]2)C(C=CN2C(=C1)C(=O)N1[C@@](C2=O)([C@H]([C@@]2([C@]31N(c1c2cccc1)C([C@H]3C)(C)C)O)OC)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium simplicissimum Ref.
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