input word = C00016937

Metabolite InformationStructural formula
Name RES 701-1
Formula C103H115N23O23
Mw 2041.85361715
CAS RN 151308-34-8
C_ID C00016937 ,
InChIKey XIIPOLLCNQAOCP-GZBAZOJJNA-N
InChICode InChI=1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-86(132)110-51-87(133)114-79(44-84(104)130)97(142)119-77(41-61-48-108-70-24-13-10-21-67(61)70)96(141)121-78(43-63-50-106-53-112-63)90(135)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-76(40-60-47-107-69-23-12-9-20-66(60)69)95(140)117-72(36-56-16-5-3-6-17-56)91(136)115-73(37-57-18-7-4-8-19-57)93(138)122-80(45-85(105)131)98(143)118-74(38-58-27-31-64(128)32-28-58)92(137)116-75(39-59-29-33-65(129)34-30-59)94(139)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,131)(H,106,112)(H,110,132)(H,111,135)(H,113,146)(H,114,133)(H,115,136)(H,116,137)(H,117,140)(H,118,143)(H,119,142)(H,120,144)(H,121,141)(H,122,138)(H,123,145)(H,124,139)(H,125,134)(H,148,149)/t54-,55+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,89-/m0/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](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)N[C@H](Cc1c3c([nH]c1)cccc3)C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c3c1cccc3)CCC2)C)[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-701 Ref.
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OrganismStreptomyces sp. RE-701
ReferenceMorishita,J.Antibiotics 47,(1994),269