(Q105212499)

English

(1S,10R)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

triazaacenaphthylene alkaloid

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mass

317.210327104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₇N₃O₂

0 references

canonical SMILES

O=C(O)C=1C(=NC2=NC(CCCCCCC)CC3N2C1CC3)C

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isomeric SMILES

CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O)C(C)=NC(=N1)N32

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found in taxon

Clathria calla

1 reference

stated in

Bioactive guanidine alkaloids from two Caribbean marine sponges.

Identifiers

InChI

InChI=1S/C18H27N3O2/c1-3-4-5-6-7-8-13-11-14-9-10-15-16(17(22)23)12(2)19-18(20-13)21(14)15/h13-14H,3-11H2,1-2H3,(H,22,23)/t13-,14+/m1/s1

0 references

InChIKey

POLLUERWBGBCBB-KGLIPLIRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POLLUERWBGBCBB-KGLIPLIRSA-N

(Q105212499)

(1S,10R)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylic acid

Statements

Identifiers

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