input word = C00016602

Metabolite InformationStructural formula
Name RES 701-4
Formula C103H115N23O25
Mw 2073.8434464
CAS RN 171927-42-7
C_ID C00016602 ,
InChIKey JHNVFWSVMMAWSD-KFBSSWFLNA-N
InChICode InChI=1S/C103H115N23O25/c1-53(128)88-101(148)124-80(51-127)102(149)126-33-13-23-81(126)100(147)122-78(44-85(134)109-49-86(135)113-76(42-83(104)132)97(144)118-74(39-59-46-108-68-22-11-9-19-65(59)68)96(143)120-75(41-61-48-106-52-112-61)90(137)111-50-87(136)125-88)99(146)119-73(38-58-45-107-67-21-10-8-18-64(58)67)95(142)116-69(34-54-14-4-2-5-15-54)91(138)114-70(35-55-16-6-3-7-17-55)93(140)121-77(43-84(105)133)98(145)117-71(36-56-25-29-62(129)30-26-56)92(139)115-72(37-57-27-31-63(130)32-28-57)94(141)123-79(103(150)151)40-60-47-110-89-66(60)20-12-24-82(89)131/h2-12,14-22,24-32,45-48,52-53,69-81,88,107-108,110,127-131H,13,23,33-44,49-51H2,1H3,(H2,104,132)(H2,105,133)(H,106,112)(H,109,134)(H,111,137)(H,113,135)(H,114,138)(H,115,139)(H,116,142)(H,117,145)(H,118,144)(H,119,146)(H,120,143)(H,121,140)(H,122,147)(H,123,141)(H,124,148)(H,125,136)(H,150,151)/t53-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,88+/m1/s1
SMILES [C@@H]1(C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)N)C(=O)N[C@@H](Cc1c3c([nH]c1)cccc3)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c3c1cccc3O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(=O)N)Cc1ccccc1)CCC2)CO)[C@H](O)C)Cc1[nH]cnc1)Cc1c2c([nH]c1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. RE-896 Ref.
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