(Q82912661)

English

3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid

chemical compound

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instance of

group of stereoisomers

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1 reference

590.199941148 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₃

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canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=C(O)C=3C(=O)CC(OC3C2C)C=4C=CC=CC4)C)C(O)C(O)C1O

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isomeric SMILES

Cc1c(O)c2c(c(C)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[C@H](c1ccccc1)CC2=O

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found in taxon

Pentarhizidium orientale

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stated in

Five new C-methyl flavonoids, the potent aldose reductase inhibitors from Matteuccia orientalis Trev.

Identifiers

InChI

InChI=1S/C29H34O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-8,17-18,23-25,28,34-38H,9-12H2,1-3H3,(H,31,32)/t17-,18+,23+,24-,25+,28-,29?/m0/s1

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InChIKey

GFQPYMAACFELLT-IZPXHLOXSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID701365068

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(Q82912661)

3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid

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Identifiers

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