(Q104401447)

English

(E,2S)-2-hydroxy-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-9-[(6R)-6-methyl-2,4-dioxooxan-3-yl]-6-methylidene-9-oxonon-3-enoic acid

group of stereoisomers with the chemical formula C₂₁H₃₀O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

410.19406792 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₈

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canonical SMILES

O=C(O)C(O)(C=CCC(=C)CCC(=O)C1C(=O)OC(C)CC1=O)C(O)C(C)CC

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isomeric SMILES

C=C(C/C=C/[C@@](O)(C(=O)O)[C@H](O)[C@@H](C)CC)CCC(=O)C1C(=O)C[C@@H](C)OC1=O

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found in taxon

Alternaria

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stated in

Cytotoxic metabolites from the fungal endophyte Alternaria sp. and their subsequent detection in its host plant Polygonum senegalense

Alternaria solani

1 reference

stated in

Biosynthetic study of alternaric acid: isolation of plausible biosynthetic intermediates and origins of the hydrogen and oxygen atoms

Identifiers

InChI

InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1

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InChIKey

OFVHHCDOMZQVQV-ZICDYRIUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OFVHHCDOMZQVQV-ZICDYRIUSA-N

1 reference

MassBank accession ID

MSBNK-AAFC-AC000647

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MSBNK-AAFC-AC000648

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MSBNK-AAFC-AC000649

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