input word = C00054108

Metabolite InformationStructural formula
Name Alexan
Cytarabine
Formula C9H13N3O5
Mw 243.08552055
CAS RN 147-94-4
C_ID C00054108
InChIKey UHDGCWIWMRVCDJ-CCXZUQQUSA-N
InChICode InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
SMILES NC1=NC(N([C@]2([H])O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Xerocomus Ref.
--Xerocomus nigromaculatus Ref.
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OrganismXerocomus nigromaculatus
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 830D (ir)