(Q105229445)

English

3-[(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl]pentanoyl]-2,6-dihydroxy-5-[(1R)-1-methoxy-2-methylpropyl]benzaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[2-(2-Ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl)pentanoyl]-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

480.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl]pentanoyl]-2,6-dihydroxy-5-[(1S)-1-methoxy-2-methylpropyl]benzaldehyde

1 reference

1 reference

C₂₅H₃₆O₉

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canonical SMILES

O=CC=1C(O)=C(C=C(C1O)C(OC)C(C)C)C(=O)C(CCC)C2OC(O)C3(OC3CC)C(O)C2

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isomeric SMILES

CCC[C@H](C(=O)c1cc([C@H](OC)C(C)C)c(O)c(C=O)c1O)[C@H]1C[C@@H](O)[C@@]2(O[C@H]2CC)[C@H](O)O1

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found in taxon

Streptomyces

1 reference

stated in

Luminacins. A Family of Capillary Tube Formation Inhibitors from Streptomyces sp. I. Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Structure Elucidation.

Identifiers

InChI

InChI=1S/C25H36O9/c1-6-8-13(17-10-18(27)25(24(31)33-17)19(7-2)34-25)20(28)14-9-15(23(32-5)12(3)4)22(30)16(11-26)21(14)29/h9,11-13,17-19,23-24,27,29-31H,6-8,10H2,1-5H3/t13-,17+,18+,19-,23+,24+,25-/m0/s1

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InChIKey

QWWYZZMBZOTNDB-IGACTWKPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWWYZZMBZOTNDB-IGACTWKPSA-N

1 reference

(Q105229445)

3-[(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl]pentanoyl]-2,6-dihydroxy-5-[(1R)-1-methoxy-2-methylpropyl]benzaldehyde

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