(Q105182127)

English

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2,4-dihydroxybut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6a-Hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2,4-dihydroxybut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.131467664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₈

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canonical SMILES

O=C(OC1CC(=C)C2(OO)CC=C(C)C2C3OC(=O)C(=C)C13)C(O)=CCO

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(O)=C/CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C19H22O8/c1-9-4-6-19(27-24)10(2)8-13(25-18(23)12(21)5-7-20)14-11(3)17(22)26-16(14)15(9)19/h4-5,13-16,20-21,24H,2-3,6-8H2,1H3/b12-5-/t13-,14-,15-,16+,19-/m1/s1

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InChIKey

NNGGBEYEJBWSSK-PXUUQBERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NNGGBEYEJBWSSK-PXUUQBERSA-N

(Q105182127)

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2,4-dihydroxybut-2-enoate

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