input word = C00024684

Metabolite InformationStructural formula
Name AT 2433B1
Formula C34H36N4O9
Mw 644.24822878
CAS RN 102622-96-8
C_ID C00024684 ,
InChIKey WMXBPIZAQBGEPB-NOIJHGLINA-N
InChICode InChI=1S/C34H36N4O9/c1-35-18-13-45-22(12-20(18)39)46-14-21-31(44-3)29(40)30(41)34(47-21)38-19-11-7-5-9-16(19)24-26-25(32(42)37(2)33(26)43)23-15-8-4-6-10-17(15)36-27(23)28(24)38/h4-11,18,20-22,29-31,34-36,39-41H,12-14H2,1-3H3/t18-,20-,21+,22-,29+,30-,31+,34+/m0/s1
SMILES CN[C@H]1CO[C@@H](OCC2O[C@@H](n3c4ccccc4c4c5c(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. Ref.
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