(Q105263634)

English

[(1S,2R,7R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (6S,7S)-6,7-dihydroxyocta-2,4-dienoate

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

1 reference

inferred from

trichothecane sesquiterpenoid

mass

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₉

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canonical SMILES

O=C(OCC12CCC(=CC2OC3CC(OC(=O)C=CC=CC(O)C(O)C)C1(C)C43OC4)C)C=C(C)CCO

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isomeric SMILES

CC1=C[C@H]2OC3C[C@@H](OC(=O)C=CC=C[C@H](O)[C@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)/C=C(\C)CCO)CC1

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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

Identifiers

InChI

InChI=1S/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5?,8-6?,19-14+/t20-,21-,22+,23+,24?,27+,28+,29-/m0/s1

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InChIKey

SYKUAMFXVHJZSH-VUEYQMKYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SYKUAMFXVHJZSH-VUEYQMKYSA-N

(Q105263634)

[(1S,2R,7R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (6S,7S)-6,7-dihydroxyocta-2,4-dienoate

Statements

Identifiers

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