input word = C00018493

Metabolite InformationStructural formula
Name Deoxypentalenylglucuron
Formula C21H30O8
Mw 410.19406794
CAS RN 85648-55-1
C_ID C00018493 ,
InChIKey BFYOGFPGIVIQCC-YJVQIZGSNA-N
InChICode InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9-,10-,12+,13+,14+,15+,16+,19+,21-/m1/s1
SMILES C[C@@H]1CC[C@H]2C(C(=O)O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)=C[C@@H]3CC(C)(C)C[C@@]132
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces omiyaensis Ref.
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