input word = C00049683

Metabolite InformationStructural formula
Name Tetrin C
Formula C34H49NO13
Mw 679.32039066
CAS RN 261621-37-8
C_ID C00049683 ,
InChIKey DHXPOWBDGCSLDX-BSSJXEODNA-N
InChICode InChI=1S/C34H49NO13/c1-18-10-8-6-4-5-7-9-11-22(46-33-31(40)29(35)30(39)20(3)45-33)15-26-28(32(41)42)23(37)17-34(43,48-26)16-21(36)14-25-24(47-25)12-13-27(38)44-19(18)2/h4-13,18-26,28-31,33,36-37,39-40,43H,14-17,35H2,1-3H3,(H,41,42)/b6-4+,7-5+,10-8+,11-9+,13-12+/t18-,19+,20+,21-,22-,23-,24+,25+,26-,28+,29-,30+,31-,33-,34+/m0/s1
SMILES [C@H]1([C@H]([C@H]2O[C@@](C1)(C[C@H](C[C@@H]1[C@@H](/C=C/C(=O)O[C@@H]([C@H](/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)O)N)O)C)C)O1)O)O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. GK9244 Ref.
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