input word = C00016454

Metabolite InformationStructural formula
Name Helioferin B
Formula C58H106N10O12
Mw 1134.79916892
CAS RN 163365-07-9
C_ID C00016454 ,
InChIKey RCPIMLSMZKFBDC-UHFFFAOYNA-N
InChICode InChI=1S/C58H106N10O12/c1-18-22-23-24-26-38(8)52(77)68-28-25-27-44(68)49(74)61-43(32-35(5)31-42(71)33-41(70)21-4)48(73)60-40(10)47(72)64-56(11,12)54(79)63-45(36(6)19-2)50(75)62-46(37(7)20-3)51(76)65-58(15,16)55(80)66-57(13,14)53(78)59-39(9)34-67(17)29-30-69/h35-40,42-46,69,71H,18-34H2,1-17H3,(H,59,78)(H,60,73)(H,61,74)(H,62,75)(H,63,79)(H,64,72)(H,65,76)(H,66,80)/t35-,36+,37-,38+,39-,40-,42+,43-,44-,45-,46+/m1/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](CN(CCO)C)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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