input word = C00026797

Metabolite InformationStructural formula
Name Celogentin H
Formula C52H73N15O13
Mw 1115.55122753
CAS RN 602308-64-5
C_ID C00026797 ,
InChIKey RGKZERBXZATAKF-UHFFFAOYNA-N
InChICode InChI=1S/C52H73N15O13/c1-7-24(5)40-48(76)62-34-18-29-28-12-11-26(39(23(3)4)42(66-45(73)31-13-14-36(68)58-31)50(78)65-41(25(6)8-2)49(77)64-40)16-32(28)60-43(29)67-21-27(57-22-67)17-33(46(74)63-35(51(79)80)19-38(70)71)59-37(69)20-56-44(72)30(61-47(34)75)10-9-15-55-52(53)54/h11-12,16,21-25,30-31,33-35,39-42,60H,7-10,13-15,17-20H2,1-6H3,(H,56,72)(H,58,68)(H,59,69)(H,61,75)(H,62,76)(H,63,74)(H,64,77)(H,65,78)(H,66,73)(H,70,71)(H,79,80)(H4,53,54,55)/t24-,25+,30+,31+,33+,34+,35+,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](CC(=O)O)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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