input word = C00043378

Metabolite InformationStructural formula
Name Cervinin
Formula C59H102N12O13
Mw 1186.76893143
CAS RN 669048-77-5
C_ID C00043378 ,
InChIKey UDYHMBXAJRPIAR-UAYGQZJJNA-N
InChICode InChI=1S/C59H102N12O13/c1-32(2)28-38(31-72)62-51(80)44(35(7)8)64-49(78)42-23-20-26-70(42)53(82)57(13,14)65-45(74)36(9)60-48(77)41-22-19-25-69(41)54(83)58(15,16)67-47(76)40(30-34(5)6)63-52(81)56(11,12)68-50(79)43-24-21-27-71(43)55(84)59(17,18)66-46(75)39(29-33(3)4)61-37(10)73/h32-36,38-44,72H,19-31H2,1-18H3,(H,60,77)(H,61,73)(H,62,80)(H,63,81)(H,64,78)(H,65,74)(H,66,75)(H,67,76)(H,68,79)/t36-,38-,39-,40-,41-,42-,43-,44-/m0/s1
SMILES C1CC[C@H](N1C(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)C(C)C)(C)C)C)(C)C)CC(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeMycogone cervina Ref.
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OrganismMycogone cervina
ReferenceWihelm,J.Nat.Prod.,67,(2004),466