(Q115972166)

English

(1S,4Z,8R,9S,10S,11R,13R,18R,22E,24R,27R)-27-hydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

trichothecane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

542.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C1OCC23CCC(=CC3OC4CC(OC(=O)C=CCCC56OCCC(=C1)C6OC(=O)C5O)C2(C)C74OC7)C

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isomeric SMILES

CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\CC[C@@]56OCC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@H]5OC(=O)[C@@H]6O

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found in taxon

Paramyrothecium roridum

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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

Identifiers

InChI

InChI=1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3,5,11-12,18-20,23-24,32H,4,6-10,13-15H2,1-2H3/b5-3-,17-12+/t18-,19-,20-,23+,24-,26-,27-,28+,29+/m1/s1

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InChIKey

KVPUYIZGNYXVQF-GGWQXSLVSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KVPUYIZGNYXVQF-GGWQXSLVSA-N

1 reference

(Q115972166)

(1S,4Z,8R,9S,10S,11R,13R,18R,22E,24R,27R)-27-hydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione

Statements

Identifiers

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