input word = C00017605

Metabolite InformationStructural formula
Name Antibiotic MM 47761
MM 47761
Formula C72H86ClN9O28
Mw 1559.52708094
CAS RN 126985-51-1
C_ID C00017605 ,
InChIKey SJSZMXQSCZCGFO-UHFFFAOYNA-N
InChICode InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)/t26-,27+,37-,38+,44-,46+,48+,49-,50+,51+,52-,53-,54+,55+,56+,57+,58-,59-,61+,62+,70?,71+,72+/m1/s1
SMILES CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis NCIB 12608 Ref.
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