input word = C00017943

Metabolite InformationStructural formula
Name Phenelfamycin A
Formula C51H71NO15
Mw 937.48237061
CAS RN 118498-91-2
C_ID C00017943 ,
InChIKey DVKFMCYYYHARAG-UHFFFAOYNA-N
InChICode InChI=1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)47(58)48(66-43(56)28-35-22-15-13-16-23-35)51(60,67-41)36(31-63-44-30-40(61-7)45(57)34(4)64-44)49(59)52-27-20-19-21-32(2)46(62-8)33(3)39-29-37(53)38(65-39)24-17-11-12-18-26-42(54)55/h9-26,33-34,36-41,44-48,53,57-58,60H,27-31H2,1-8H3,(H,52,59)(H,54,55)/b10-9-,12-11-,20-19+,24-17-,25-14+,26-18+,32-21+/t33-,34-,36-,37-,38+,39+,40-,41-,44+,45+,46-,47-,48-,51+/m1/s1
SMILES CC=CC=CC1OC(O)(C(COC2CC(OC)C(O)C(C)O2)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(OC(=O)Cc2ccccc2)C(O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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