input word = C00027103

Metabolite InformationStructural formula
Name Ambiguine B isonitrile
Formula C26H31ClN2O
Mw 422.21249134
CAS RN 138630-60-1
C_ID C00027103 ,
InChIKey XNSXDDHLEKKURV-PTJGBYGNNA-N
InChICode InChI=1S/C26H31ClN2O/c1-9-23(3,4)21-20-19-15(12-11-13-16(19)29-21)24(5,6)17-14-18(27)25(7,10-2)22(28-8)26(17,20)30/h9-13,17-18,22,29-30H,1-2,14H2,3-7H3/t17-,18-,22+,25+,26-/m1/s1
SMILES [C-]#[N+][C@H]1[C@@](C)(C=C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c(C(C)(C)C=C)c(c34)[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fischerella ambigua Ref.
--Fischerella sp. Ref.
--Hapalosiphon delicatulus Ref.
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OrganismHapalosiphon delicatulus
ReferenceHuber,J.Nat.Prod.,61,(1998),1304