input word = C00016354

Metabolite InformationStructural formula
Name TMC 2C
Formula C28H34N4O8
Mw 554.23766409
CAS RN 196212-08-5
C_ID C00016354 ,
InChIKey WVYIXBYYAHYOIW-RREILZCFNA-N
InChICode InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14-,19-,21+,22+/m1/s1
SMILES COc1c(O)cc2c(c1O)CN(C(=O)C(N)Cc1c[nH]c3ccccc13)[C@H](C(=O)N[C@@H](CC(C)CO)C(=O)O)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus oryzae A437 Ref.
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