input word = C00016453

Metabolite InformationStructural formula
Name Helioferin A
Formula C57H104N10O12
Mw 1120.78351886
CAS RN 163365-06-8
C_ID C00016453 ,
InChIKey YGRSOHXUOXMZOV-UHFFFAOYNA-N
InChICode InChI=1S/C57H104N10O12/c1-17-21-22-23-25-37(8)51(76)67-28-24-26-43(67)48(73)61-42(31-34(5)30-41(70)32-40(69)20-4)47(72)60-39(10)46(71)64-55(11,12)53(78)63-44(35(6)18-2)49(74)62-45(36(7)19-3)50(75)65-57(15,16)54(79)66-56(13,14)52(77)59-38(9)33-58-27-29-68/h34-39,41-45,58,68,70H,17-33H2,1-16H3,(H,59,77)(H,60,72)(H,61,73)(H,62,74)(H,63,78)(H,64,71)(H,65,75)(H,66,79)/t34-,35+,36+,37-,38-,39+,41+,42-,43+,44-,45+/m0/s1
SMILES C1C[C@@H](N(C1)C(=O)[C@H](CCCCCC)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](CNCCO)C)(C)C)(C)C)[C@H](C)CC)[C@H](C)CC)(C)C)C)C[C@H](C[C@H](CC(=O)CC)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeMycogone rosea DSM 8822 Ref.
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