(Q115972604)

English

(1E,6R,11R,13R,14S,15S,16R,19Z,23S,27R)-23-acetyl-27-hydroxy-9-(hydroxymethyl)-15-methylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19-triene-14,2'-oxirane]-3,18-dione

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

544.230847352 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₁₀

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canonical SMILES

O=C1OCC23CCC(=CC3OC4CC(OC(=O)C=CCCC5(OCCC(=C1)C5O)C(=O)C)C2(C)C64OC6)CO

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isomeric SMILES

CC(=O)[C@@]12CC/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(CO)CC[C@]5(COC(=O)/C=C(\CCO1)[C@H]2O)[C@]3(C)[C@]41CO1

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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/C29H36O10/c1-17(31)28-8-4-3-5-23(32)39-20-13-22-29(16-37-29)26(20,2)27(9-6-18(14-30)11-21(27)38-22)15-35-24(33)12-19(25(28)34)7-10-36-28/h3,5,11-12,20-22,25,30,34H,4,6-10,13-16H2,1-2H3/b5-3-,19-12+/t20-,21-,22-,25-,26-,27-,28-,29+/m1/s1

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InChIKey

FAUFOECCTCIGCY-OGFUYIJJSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

FAUFOECCTCIGCY-OGFUYIJJSA-N

1 reference

(Q115972604)

(1E,6R,11R,13R,14S,15S,16R,19Z,23S,27R)-23-acetyl-27-hydroxy-9-(hydroxymethyl)-15-methylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19-triene-14,2'-oxirane]-3,18-dione

Statements

Identifiers

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