input word = C00055465

Metabolite InformationStructural formula
Name Cycloreticulin A
Formula C44H60N8O13
Mw 908.42798406
CAS RN 1003840-87-6
C_ID C00055465
InChIKey KZIZIAKHHHJKPR-POCOJXSTSA-N
InChICode InChI=1S/C44H60N8O13/c1-5-23(3)36-42(63)47-29(18-25-9-13-27(54)14-10-25)38(59)48-31(19-26-11-15-28(55)16-12-26)44(65)52-17-7-8-33(52)41(62)45-21-34(56)46-30(20-35(57)58)39(60)50-37(24(4)6-2)43(64)49-32(22-53)40(61)51-36/h9-16,23-24,29-33,36-37,53-55H,5-8,17-22H2,1-4H3,(H,45,62)(H,46,56)(H,47,63)(H,48,59)(H,49,64)(H,50,60)(H,51,61)(H,57,58)/t23-,24-,29-,30-,31-,32-,33-,36-,37-/m0/s1
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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