roridin A (Q63398116)

(12S,13R,17R,18Z,20E,24S,25S,26R)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

(1R,3R,8R,12S,13R,17R,18Z,20Z,24R,25S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

mass

532.26723286 dalton

1 reference

(1R,3R,8R,12S,13R,17R,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

stereoisomer of

2 references

(1R,3R,8R,12R,13S,17R,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

2 references

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(1R,3R,8R,12S,13R,17S,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

(1R,3R,8R,12S,13R,17R,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

1 reference

(1R,3R,8R,12S,13R,17S,18E,20Z,24R,25S,26R)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

chemical formula

C₂₉H₄₀O₉

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canonical SMILES

O=C1OC2CC3OC4C=C(C)CCC4(COC(=O)C(O)C(C)CCOC(C=CC=C1)C(O)C)C2(C)C53OC5

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isomeric SMILES

C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O

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found in taxon

Baccharis coridifolia

5 references

Trichothecene mycotoxins from Brazilian Baccharis species

The mystery of trichothecene antibiotics in Baccharis species

Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

Macrocyclic trichothecenes: cause of livestock poisoning by the Brazilian plant Baccharis coridifolia

Accumulation of mycotoxins by Baccharis coridifolia: a reason for livestock poisoning

Baccharis artemisioides

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Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

Ceratopycnidium baccharidicola

1 reference

Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

Myrothecium verrucaria

5 references

Myrocin C, a new diterpene antitumor antibiotic from Myrothecium verrucaria. I. Taxonomy of the producing strain, fermentation, isolation and biological properties.

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

New trichoverroids from Myrothecium verrucaria: verrol and 12,13-deoxytrichodermadiene

Stereochemistry of the Roridins

Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria

Paramyrothecium roridum

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Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum

Myrothecium roridum

1 reference

Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum

Albifimbria verrucaria

5 references

Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

Myrocin C, a new diterpene antitumor antibiotic from Myrothecium verrucaria. I. Taxonomy of the producing strain, fermentation, isolation and biological properties.

Stereochemistry of the Roridins

New trichoverroids from Myrothecium verrucaria: verrol and 12,13-deoxytrichodermadiene

Identifiers

InChI

InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1

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SureChEMBL ID

SCHEMBL159348

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MassBank accession ID

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DSSTOX compound identifier

DTXCID001031260

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UNII

U28899D1U2

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