input word = C00026705

Metabolite InformationStructural formula
Name Celogenamide A
Formula C55H69N11O13
Mw 1091.50763137
CAS RN 767342-09-6
C_ID C00026705 ,
InChIKey CARJUOBZMZRPOF-OIXQBBAPNA-N
InChICode InChI=1S/C55H69N11O13/c1-30(2)45-52(75)61-38(25-31-11-4-3-5-12-31)47(70)62-41(29-67)50(73)59-40(48(71)58-37(55(78)79)14-8-9-23-56)27-33-28-66(42-15-7-6-13-35(33)42)46(53(76)63-45)64-49(72)39(26-32-17-19-34(68)20-18-32)60-51(74)43-16-10-24-65(43)54(77)36-21-22-44(69)57-36/h3-7,11-13,15,17-20,28,30,36-41,43,45-46,67-68H,8-10,14,16,21-27,29,56H2,1-2H3,(H,57,69)(H,58,71)(H,59,73)(H,60,74)(H,61,75)(H,62,70)(H,63,76)(H,64,72)(H,78,79)/t36-,37-,38-,39-,40-,41-,43-,45-,46+/m0/s1
SMILES c1n2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c1c2cccc1)C(=O)N[C@H](C(=O)O)CCCCN)CO)Cc1ccccc1)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)CC1)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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