input word = C00026796

Metabolite InformationStructural formula
Name Celogentin G
Formula C48H68N14O10
Mw 1000.5242845
CAS RN 602308-63-4
C_ID C00026796 ,
InChIKey SPTBAGLYYLQEPE-UHFFFAOYNA-N
InChICode InChI=1S/C48H68N14O10/c1-7-23(5)37-44(68)58-32-18-28-27-12-11-25(36(22(3)4)39(61-42(66)30-13-14-34(63)54-30)46(70)60-38(24(6)8-2)45(69)59-37)16-31(27)56-40(28)62-20-26(53-21-62)17-33(47(71)72)55-35(64)19-52-41(65)29(57-43(32)67)10-9-15-51-48(49)50/h11-12,16,20-24,29-30,32-33,36-39,56H,7-10,13-15,17-19H2,1-6H3,(H,52,65)(H,54,63)(H,55,64)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,66)(H,71,72)(H4,49,50,51)/t23-,24-,29+,30-,32+,33-,36+,37+,38+,39+/m1/s1
SMILES c12ccc3c(c1)[nH]c1c3C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](Cc3cn1cn3)C(=O)O)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@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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