input word = C00026795

Metabolite InformationStructural formula
Name Celogentin F
Formula C53H78N18O11
Mw 1142.60974547
CAS RN 602308-62-3
C_ID C00026795 ,
InChIKey IZPPUIAWMHHUAO-UHFFFAOYNA-N
InChICode InChI=1S/C53H78N18O11/c1-7-26(6)41-49(79)68-40(25(4)5)48(78)67-36-20-30-29-13-12-27(39(24(2)3)42(50(80)69-41)70-45(75)32-14-15-37(72)62-32)18-34(29)64-43(30)71-22-28(61-23-71)19-35(46(76)66-33(51(81)82)11-9-17-59-53(56)57)63-38(73)21-60-44(74)31(65-47(36)77)10-8-16-58-52(54)55/h12-13,18,22-26,31-33,35-36,39-42,64H,7-11,14-17,19-21H2,1-6H3,(H,60,74)(H,62,72)(H,63,73)(H,65,77)(H,66,76)(H,67,78)(H,68,79)(H,69,80)(H,70,75)(H,81,82)(H4,54,55,58)(H4,56,57,59)/t26-,31+,32-,33-,35-,36-,39+,40-,41-,42+/m1/s1
SMILES c12ccc3c(c1)[nH]c1c3C[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](Cc3cn1cn3)C(=O)N[C@@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]([C@H]2C(C)C)NC(=O)[C@H]1CCC(=O)N1)[C@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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