(Q105255474)

English

(2S)-4-[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-2H-pyrrol-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

pyrrolidine alkaloid

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mass

373.225308472 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₁NO₄

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canonical SMILES

O=C1C(=C(O)N(C)C1CO)C(=O)C2(C)C(C=CC)C=CC3CC(C)CCC32

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isomeric SMILES

C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)N(C)[C@@H](CO)C1=O

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found in taxon

Fusarium heterosporum

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stated in

Equisetin biosynthesis in Fusarium heterosporum

Fusarium lolii

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stated in

Equisetin biosynthesis in Fusarium heterosporum

Identifiers

InChI

InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,27H,7,10-12H2,1-4H3/b6-5+/t13-,14-,15-,16-,17+,22-/m1/s1

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InChIKey

SLOQQJFOWFUUMP-KNQICWOTSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105255474)

(2S)-4-[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-2H-pyrrol-3-one

Statements

Identifiers

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