(Q63398116)

English

roridin A

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(18'E)-12'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-triene-11',22'-dione

1 reference

based on heuristic

inferred from SMILES

(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

based on heuristic

inferred from SMILES

(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

based on heuristic

inferred from SMILES

mass

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(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

based on heuristic

inferred from InChI

(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

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₉

0 references

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

stated in

Trichothecene mycotoxins from Brazilian Baccharis species

stated in

The mystery of trichothecene antibiotics in Baccharis species

stated in

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

stated in

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

stated in

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

Baccharis artemisioides

1 reference

stated in

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

Ceratopycnidium baccharidicola

1 reference

stated in

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

Myrothecium verrucaria

5 references

stated in

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

stated in

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

stated in

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

stated in

Stereochemistry of the Roridins

stated in

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

Paramyrothecium roridum

1 reference

stated in

Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum

Myrothecium roridum

1 reference

stated in

Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum

Albifimbria verrucaria

5 references

stated in

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

stated in

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

stated in

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

stated in

Stereochemistry of the Roridins

stated in

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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InChIKey

NSFWWJIQIKBZMJ-PAGWOCKZSA-N

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MassBank accession ID

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DSSTOX compound identifier

DTXCID001031260

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(Q63398116)

roridin A

Statements

Identifiers

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