(Q105143269)

English

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

chemical compound

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type of chemical entity

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1 reference

3-Hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-(5-hydroxy-6,8-dimethyl-4-oxo-2-phenylchromen-7-yl)oxyoxan-2-yl]methoxy]pentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

588.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₃

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canonical SMILES

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

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isomeric SMILES

Cc1c(O[C@@H]2O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O

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found in taxon

Pentarhizidium orientale

1 reference

stated in

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

Onoclea orientalis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C29H32O13/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/h4-9,18,23-25,28,34-38H,10-12H2,1-3H3,(H,31,32)/t18-,23-,24+,25-,28+,29+/m1/s1

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InChIKey

KMYUBNLNPRIIHP-TZFQDBJXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105143269)

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

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