input word = C00015144

Metabolite InformationStructural formula
Name Complestatin B
Neuroprotectin B
Formula C61H45Cl6N7O17
Mw 1357.10030933
CAS RN 354986-38-2
C_ID C00015144 ,
InChIKey NGSUYOQYYVLKJJ-YMXCETRCNA-N
InChICode InChI=1S/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44-,45-,46-,47-,61-/m1/s1
SMILES c1c2ccc(c1)Oc1cc3cc(c1O)c1ccc4c(c1)NC(=O)[C@]4(C[C@H](C(=O)N[C@@H](C(=O)N[C@H]3C(=O)N[C@@H](C(=O)N([C@@H](C2)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O)C)c1cc(c(c(c1)Cl)O)Cl)c1cc(c(c(c1)Cl)O)Cl)NC(=O)C(=O)c1cc(c(c(c1)Cl)O)Cl)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Q27107 Ref.
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OrganismStreptomyces sp. Q27107
ReferenceKobayashi,J.Antibiotics 54,(2001),1013