input word = C00038895

Metabolite InformationStructural formula
Name Cyclomontanin C
Formula C51H67N13O12
Mw 1053.5032147
CAS RN 1041854-77-6
C_ID C00038895 ,
InChIKey POVFXEIWKRHEKP-UHFFFAOYNA-N
InChICode InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28-,32+,33+,34-,35-,36-,37-,38+,41+,42+/m1/s1
SMILES C1(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@H]3N(C(=O)[C@H](NC(=O)[C@H](N1)CC(=O)N)Cc1ccccc1)CCC3)CCC2)[C@@H](C)O)Cc1ccccc1)CC(=O)N)Cc1c[nH]cn1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona montana Ref.
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