input word = C00017946

Metabolite InformationStructural formula
Name Phenelfamycin E
Formula C65H95NO21
Mw 1225.63965911
CAS RN 114451-31-9
C_ID C00017946 ,
InChIKey UDVVGDCMWCVRCO-AYEZNIAVNA-N
InChICode InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40+,41-,42+,44-,45+,46+,47-,48+,49-,50-,51+,54-,55+,56-,57-,58-,59+,60+,61+,62-,65-/m1/s1
SMILES O1[C@H](C[C@H]([C@H]([C@H]1C)O[C@H]1O[C@H]([C@@H]([C@@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC)C)OC)OC[C@@H]([C@]1(O[C@H](C([C@H]([C@H]1OC(=O)Cc1ccccc1)O)(C)C)/C=C/C=C\C)O)C(=O)NC/C=C/C=C(/[C@@H](OC)[C@@H]([C@@H]1O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@H](C1)O)C)\C
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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OrganismStreptomyces violaceusniger AB 999F-80
ReferenceJackson,J.Antibiotics,41,(1988),1293