input word = C00027102

Metabolite InformationStructural formula
Name Ambiguine A isonitrile
Formula C26H31ClN2
Mw 406.21757671
CAS RN 138630-59-8
C_ID C00027102 ,
InChIKey GHYIJWADNLIVDB-BOKLMEAHNA-N
InChICode InChI=1S/C26H31ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h9-13,16,18,20,23,29H,1-2,14H2,3-7H3/t16-,18+,20-,23+,26-/m0/s1
SMILES c12c3cccc1[nH]c(c2[C@@H]1[C@@H](C3(C)C)C[C@H]([C@@]([C@@H]1[N+]
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