input word = C00016681

Metabolite InformationStructural formula
Name Altromycin H
Formula C36H41NO12
Mw 679.26287578
CAS RN 160219-87-4
C_ID C00016681 ,
InChIKey CJQINBXVKXTMSP-UHFFFAOYNA-N
InChICode InChI=1S/C36H41NO12/c1-14-29(40)22(44-7)12-25(46-14)48-34-15(2)45-23(13-35(34,4)37-6)17-8-9-18-26(31(17)42)32(43)27-19(30(18)41)10-20(38)28-21(39)11-24(47-33(27)28)36(5)16(3)49-36/h8-11,14-16,22-23,25,29,34,37-38,40,42H,12-13H2,1-7H3/t14-,15+,16-,22+,23-,25+,29+,34+,35-,36-/m0/s1
SMILES c1c(c(c2c(c1)C(=O)c1c(C2=O)c2c(c(c1)O)c(=O)cc(o2)[C@]1(O[C@H]1C)C)O)[C@H]1O[C@@H]([C@H]([C@@](C1)(C)NC)O[C@H]1O[C@H]([C@H]([C@@H](C1)OC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--AB 1246E-26 (NRRL 18371) Ref.
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