input word = C00024682

Metabolite InformationStructural formula
Name AT 2433A1
Formula C34H35ClN4O9
Mw 678.20925646
CAS RN 102644-20-2
C_ID C00024682 ,
InChIKey CGQSZYLXZOKJEJ-MVDPUDCWNA-N
InChICode InChI=1S/C34H35ClN4O9/c1-36-18-12-46-21(11-19(18)40)47-13-20-31(45-3)29(41)30(42)34(48-20)39-27-15(8-6-9-16(27)35)23-25-24(32(43)38(2)33(25)44)22-14-7-4-5-10-17(14)37-26(22)28(23)39/h4-10,18-21,29-31,34,36-37,40-42H,11-13H2,1-3H3/t18-,19-,20+,21-,29+,30-,31+,34+/m0/s1
SMILES CN[C@H]1CO[C@@H](OCC2O[C@@H](n3c4c(Cl)cccc4c4c5c(c6c7ccccc7[nH]c6c43)C(=O)N(C)C5=O)[C@@H](O)C(O)[C@@H]2OC)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura melliaura sp.nov.(SCC 1655) Ref.
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