(Q105173756)

English

2-[(5aR,6R,8R,9aS,9bR)-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-8-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-8-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₆

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canonical SMILES

O=C(O)CC1C(=C)C2C3OC(=O)C(=C3CCC2(C)C(O)C1)CO

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isomeric SMILES

C=C1[C@@H]2[C@H]3OC(=O)C(CO)=C3CC[C@@]2(C)[C@H](O)C[C@@H]1CC(=O)O

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found in taxon

Artemisia judaica

1 reference

stated in

Glaucolide-like sesquiterpene lactones from Artemisia judaica

Identifiers

InChI

InChI=1S/C17H22O6/c1-8-9(6-13(20)21)5-12(19)17(2)4-3-10-11(7-18)16(22)23-15(10)14(8)17/h9,12,14-15,18-19H,1,3-7H2,2H3,(H,20,21)/t9-,12-,14-,15+,17+/m1/s1

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InChIKey

MWSPFMHDZAQRCF-GCJPLAMYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWSPFMHDZAQRCF-GCJPLAMYSA-N

(Q105173756)

2-[(5aR,6R,8R,9aS,9bR)-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-8-yl]acetic acid

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