(Q105368719)

English

(1R,3S,12S,14R,27S)-12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

chemical compound

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instance of

type of chemical entity

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subclass of

12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

1 reference

based on heuristic

inferred from SMILES

mass

443.159354152 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

NCGC00169614-02_C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione (Fumiquinazoline C)

1 reference

based on heuristic

inferred from InChI

(1S,3S,12S,14R,27R)-12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₁N₅O₄

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canonical SMILES

CC1C(=O)N2c3ccccc3C3(O)CC4C(=O)NC(C)(c5nc6ccccc6c(=O)n54)N1C23

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isomeric SMILES

C[C@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@@H]4C(=O)N[C@@](C)(c5nc6ccccc6c(=O)n54)N1[C@@H]23

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found in taxon

Aspergillus fumigatus

1 reference

stated in

Alkaloids from the Marine Isolate of the Fungus Aspergillus fumigatus

Identifiers

InChI

InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(33)11-17-18(30)26-23(2,29(12)22(24)28)21-25-15-9-5-3-7-13(15)20(32)27(17)21/h3-10,12,17,22,33H,11H2,1-2H3,(H,26,30)/t12-,17+,22+,23+,24-/m0/s1

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InChIKey

YYLAARMDRFESOL-FBFRIGEZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105368719)

(1R,3S,12S,14R,27S)-12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

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