input word = C00028820

Metabolite InformationStructural formula
Name PF1070A
Formula C31H44N4O6
Mw 568.32608517
CAS RN 146556-41-4
C_ID C00028820 ,
InChIKey IEIMOAHNLVBBHL-UHFFFAOYNA-N
InChICode InChI=1S/C31H44N4O6/c1-3-20(2)27-31(40)35-17-11-10-15-24(35)30(39)32-22(14-8-5-9-16-25(36)26-19-41-26)28(37)33-23(29(38)34-27)18-21-12-6-4-7-13-21/h4,6-7,12-13,20,22-24,26-27H,3,5,8-11,14-19H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23+,24-,26-,27-/m1/s1
SMILES N1[C@H](C(=O)N[C@@H](C(=O)N2[C@@H](C(=O)N[C@@H](C1=O)CCCCCC(=O)[C@@H]1OC1)CCCC2)[C@H](C)CC)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Humicola PF1070 Ref.
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