input word = C00016728

Metabolite InformationStructural formula
Name Rubomycin F
Formula C30H33NO12
Mw 599.20027553
CAS RN 144285-59-6
C_ID C00016728 ,
InChIKey YMPKVNDJETUUPT-UHFFFAOYNA-N
InChICode InChI=1S/C30H33NO12/c1-5-41-29(38)31-16-9-19(42-12(2)24(16)33)43-18-11-30(39,13(3)32)10-15-21(18)28(37)23-22(26(15)35)25(34)14-7-6-8-17(40-4)20(14)27(23)36/h6-8,12,16,18-19,24,33,35,37,39H,5,9-11H2,1-4H3,(H,31,38)/t12-,16-,18-,19+,24+,30-/m1/s1
SMILES C1[C@](Cc2c([C@@H]1O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)NC(=O)OCC)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)OC)O)(C(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus Ref.
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