(Q105185017)

English

(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

group of stereoisomers with the chemical formula C₂₉H₄₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

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inferred from

trichothecane sesquiterpenoid

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532.26723286 dalton

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based on heuristic

inferred from SMILES

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

CC1=CC2OC3CC4OC(=O)C=C/C=C/C(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1

1 reference

based on heuristic

inferred from InChI

found in taxon

Myrothecium verrucaria

2 references

stated in

Structure of roridin J, a new macrocyclic trichothecene from Myrothecium verrucaria

stated in

Metabolites inhibiting germination of Orobanche ramosa seeds produced by Myrothecium verrucaria and Fusarium compactum

Albifimbria verrucaria

1 reference

stated in

Metabolites inhibiting germination of Orobanche ramosa seeds produced by Myrothecium verrucaria and Fusarium compactum

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?

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InChIKey

NSFWWJIQIKBZMJ-UOBFQKKOSA-N

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(Q105185017)

(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

Statements

Identifiers

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