(Q105154631)

English

(3aS,6R,6aR)-2-amino-3a-hydroxy-6a-methoxy-6-(4-methoxyphenyl)-3-methylspiro[4,6-dihydrocyclopenta[d]imidazole-5,4'-cyclohexa-2,5-diene]-1'-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

369.168856216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₃N₃O₄

0 references

canonical SMILES

O=C1C=CC2(C=C1)CC3(O)N(C(=N)NC3(OC)C2C4=CC=C(OC)C=C4)C

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isomeric SMILES

COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@@]3(O)N(C)C(=N)N[C@@]23OC)cc1

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found in taxon

Leucetta

1 reference

stated in

Uniquely modified imidazole alkaloids from a calcareous Leucetta sponge

Identifiers

InChI

InChI=1S/C20H23N3O4/c1-23-17(21)22-20(27-3)16(13-4-6-15(26-2)7-5-13)18(12-19(20,23)25)10-8-14(24)9-11-18/h4-11,16,25H,12H2,1-3H3,(H2,21,22)/t16-,19+,20-/m1/s1

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InChIKey

LOCCWLUEAKXVJT-LSTHTHJFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOCCWLUEAKXVJT-LSTHTHJFSA-N

(Q105154631)

(3aS,6R,6aR)-2-amino-3a-hydroxy-6a-methoxy-6-(4-methoxyphenyl)-3-methylspiro[4,6-dihydrocyclopenta[d]imidazole-5,4'-cyclohexa-2,5-diene]-1'-one

Statements

Identifiers

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