(Q105249329)

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Verrucarrin M

chemical compound

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instance of

type of chemical entity

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subclass of

27-Hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione

1 reference

based on heuristic

inferred from SMILES

(18'E)-27'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',17',22'-trione

1 reference

based on heuristic

inferred from SMILES

mass

500.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,8R,12E,18E,20E,24S,25S,26S,27R)-27-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione

2 references

based on heuristic

inferred from InChIKey

1 reference

(1R,3R,8R,12Z,18E,20Z,24S,25S,26S,27R)-27-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione

1 reference

based on heuristic

inferred from InChI

(1R,3R,8R,24S,25S,26S,27R)-27-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₉

0 references

canonical SMILES

O=C1OCCC(=CC(=O)OCC23CCC(=CC3OC4C(O)C(OC(=O)C=CC=C1)C2(C)C54OC5)C)C

0 references

isomeric SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1

0 references

found in taxon

Myrothecium verrucaria

1 reference

stated in

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

Albifimbria verrucaria

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C27H32O9/c1-16-8-10-26-14-33-21(30)13-17(2)9-11-32-19(28)6-4-5-7-20(29)36-23-22(31)24(35-18(26)12-16)27(15-34-27)25(23,26)3/h4-7,12-13,18,22-24,31H,8-11,14-15H2,1-3H3/b6-4+,7-5-,17-13+/t18-,22-,23-,24-,25-,26-,27+/m1/s1

0 references

InChIKey

SBDCDLYTQBGFRK-LQQQYLKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBDCDLYTQBGFRK-LQQQYLKJSA-N

1 reference

(Q105249329)

Verrucarrin M

Statements

Identifiers

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