input word = C00027104

Metabolite InformationStructural formula
Name Ambiguine E isonitrile
Formula C26H29ClN2O2
Mw 436.19175589
CAS RN 138666-16-7
C_ID C00027104 ,
InChIKey LYCKQMCCONKVPQ-KGRHJNACNA-N
InChICode InChI=1S/C26H29ClN2O2/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20-21(31-20)26(24,28-7)25(15,18)30/h8-11,15-16,20-21,29-30H,1,12H2,2-6H3/t15-,16-,20+,21+,24-,25-,26+/m0/s1
SMILES [C-]#[N+][C@@]12C3OC3C(C)(C)c3[nH]c4cccc5c4c3C1(O)C(CC(Cl)C2(C)C=C)C5(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fischerella ambigua Ref.
--Fischerella sp. Ref.
--Hapalosiphon delicatulus Ref.
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