(Q105162616)

English

(5-Acetyloxy-9-hydroperoxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylpropanoate

group of stereoisomers with the chemical formula C₂₁H₂₈O₉

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

424.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₉

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)C)C(OC(=O)C)C(O)(C)C3C=CC(OO)(C)C23

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found in taxon

Anthemis

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stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Identifiers

InChI

InChI=1S/C21H28O9/c1-9(2)18(23)29-16-13-10(3)19(24)28-15(13)14-12(7-8-20(14,5)30-26)21(6,25)17(16)27-11(4)22/h7-9,12-17,25-26H,3H2,1-2,4-6H3

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InChIKey

MFFDNJQADQPGPW-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFFDNJQADQPGPW-UHFFFAOYSA-N

(Q105162616)

(5-Acetyloxy-9-hydroperoxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylpropanoate

Statements

Identifiers

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