(Q104934341)

English

(3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

macrolides

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mass

460.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₄O₁₀

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canonical SMILES

O=C1OC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C2CC(O)C(=C1)C=4C=CC(O)=CC4

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isomeric SMILES

O=C1/C=C(/c2ccc(O)cc2)[C@@H](O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1

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found in taxon

Ononis speciosa

1 reference

stated in

Specionin and Speciosides A and B: New Aromatic Lactones from Ononis speciosa

Identifiers

InChI

InChI=1S/C23H24O10/c24-10-18-20(28)21(29)22(30)23(33-18)31-14-6-3-12-7-16(26)15(9-19(27)32-17(12)8-14)11-1-4-13(25)5-2-11/h1-6,8-9,16,18,20-26,28-30H,7,10H2/b15-9-/t16-,18+,20+,21-,22+,23+/m0/s1

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InChIKey

BFKUDGRBSUJNLA-LRYVSMNUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BFKUDGRBSUJNLA-LRYVSMNUSA-N

1 reference

(Q104934341)

(3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one

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Identifiers

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