input word = C00016198

Metabolite InformationStructural formula
Name Antascomicin E
Formula C37H57NO10
Mw 675.39824705
CAS RN 175413-71-5
C_ID C00016198 ,
InChIKey XFSKSHSLHKELSA-QXZILWSFNA-N
InChICode InChI=1S/C37H57NO10/c1-23(20-27-14-16-30(41)31(42)21-27)32-18-15-26(22-39)10-6-4-5-7-12-29(40)25(3)33-17-13-24(2)37(46,48-33)34(43)35(44)38-19-9-8-11-28(38)36(45)47-32/h6-7,10,12,23-28,30-33,39,41-42,46H,4-5,8-9,11,13-22H2,1-3H3/b10-6+,12-7+/t23-,24-,25-,26-,27-,28-,30-,31-,32-,33+,37-/m0/s1
SMILES C1CCN2[C@@H](C1)C(=O)O[C@@H](CC[C@H](/C=C/CC/C=C/C(=O)[C@@H]([C@@H]1O[C@](C(=O)C2=O)([C@H](CC1)C)O)C)CO)[C@H](C[C@@H]1CC[C@@H]([C@H](C1)O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora n. sp. A92-306401 Ref.
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