input word = C00017582

Metabolite InformationStructural formula
Name Kijimicin
Formula C37H64O11
Mw 684.44486289
CAS RN 129297-22-9
C_ID C00017582 ,
InChIKey DQQFPJYHEYSNAS-UHFFFAOYNA-N
InChICode InChI=1S/C37H64O11/c1-12-27(38)35(9)18-20(3)37(41,48-35)28-17-19(2)32(44-28)34(8)15-13-25(45-34)26-14-16-36(46-26)24(7)31(43-11)22(5)30(47-36)21(4)29(42-10)23(6)33(39)40/h19-32,38,41H,12-18H2,1-11H3,(H,39,40)/t19-,20-,21+,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,34-,35+,36-,37-/m1/s1
SMILES [C@@H]1(O[C@@]2([C@@H]([C@@H]([C@@H]1C)OC)C)CC[C@H](O2)[C@@H]1CC[C@@](O1)([C@H]1[C@@H](C[C@@H](O1)[C@@]1(O[C@](C[C@H]1C)(C)[C@H](O)CC)O)C)C)[C@@H](C)[C@H](OC)[C@@H](C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. MI215-NF3 Ref.
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