input word = C00017659

Metabolite InformationStructural formula
Name UK 63598
Formula C53H62N10O14S2
Mw 1126.38883822
CAS RN 120796-23-8
C_ID C00017659 ,
InChIKey HBQDLHJADJTNRK-UHFFFAOYNA-N
InChICode InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)/t25-,26-,27-,28-,33+,34-,35+,40-,49+,52+,53-/m0/s1
SMILES c12c(cc(c(n1)C(=O)N[C@H]1COC(=O)[C@@]3([C@H](C3)C)N(C)C(=O)[C@@H]3N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@]4([C@H](C4)C)N(C(=O)[C@H](N(C)C(=O)[C@@H](NC1=O)C)[C@@H](SC3)SC)C)NC(=O)c1c(cc3c(n1)cccc3)O)O)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces braegensis subsp. japonicus N617-29 Ref.
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