input word = C00016103

Metabolite InformationStructural formula
Name Actamycin
NSC 381101
Formula C39H45NO10
Mw 687.30434667
CAS RN 76045-67-5
C_ID C00016103 ,
InChIKey ODRXJBTZWPWLEA-JUDJKKJRNA-N
InChICode InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47,50H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,34-/m0/s1
SMILES C/C1=CC[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C=CC=C/C=C/[C@H](C)[C@@H](O)CC1=O)C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. E/784 Ref.
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OrganismStreptomyces sp. E/784
ReferenceHooper,J.Antibiotics 51,(1998),958