input word = C00016742

Metabolite InformationStructural formula
Name Cytorhodin X
Formula C48H68N2O15
Mw 912.46196952
CAS RN 133914-58-6
C_ID C00016742 ,
InChIKey KHLMWLKHVMVXMW-UHFFFAOYNA-N
InChICode InChI=1S/C48H68N2O15/c1-10-48(65-36-20-28(49(6)7)41(53)24(4)60-36)19-18-27-38(45(57)40-39(43(27)55)44(56)37-26(42(40)54)12-11-13-31(37)52)47(48)64-35-21-29(50(8)9)46(25(5)61-35)63-34-17-15-32(23(3)59-34)62-33-16-14-30(51)22(2)58-33/h11-13,22-25,28-30,32-36,41,46-47,51-53,55,57H,10,14-21H2,1-9H3/t22-,23-,24+,25+,28+,29+,30+,32+,33+,34+,35-,36-,41-,46+,47-,48+/m0/s1
SMILES CCC1(OC2CC(N(C)C)C(O)C(C)O2)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HPLY-11472 DSM 2658 Ref.
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