input word = C00039178

Metabolite InformationStructural formula
Name Eujavanicin A
(-)-Eujavanicin A
Formula C55H93N9O15
Mw 1119.67911337
CAS RN 1067227-59-1
C_ID C00039178 ,
InChIKey IZUJJOHFTNOHGI-KLCXVOEPNA-N
InChICode InChI=1S/C55H93N9O15/c1-19-31(10)41-55(78)79-34(13)49(72)64-25-23-22-24-36(64)51(74)61(16)43(30(8)9)46(69)57-40(28(4)5)53(76)59(14)37(27-39(67)68)52(75)63(18)45(33(12)21-3)54(77)62(17)44(32(11)20-2)48(71)56-35(26-38(65)66)50(73)60(15)42(29(6)7)47(70)58-41/h28-37,40-45H,19-27H2,1-18H3,(H,56,71)(H,57,69)(H,58,70)(H,65,66)(H,67,68)/t31-,32-,33-,34+,35-,36-,37-,40+,41-,42+,43-,44-,45+/m0/s1
SMILES CCC(C)[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C([C@@H](C)CC)N(C)C(=O)[C@H](CC(=O)O)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeEupenicillium javanicum Ref.
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