(Q105170424)

English

3-[[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methoxy]-3-oxopropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[[5-[4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

650.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₀O₁₇

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canonical SMILES

O=C(O)CC(=O)OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C=5C=CC(O)=CC5)OC(CO)C(O)C2O)C1O

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isomeric SMILES

O=C(O)CC(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O

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found in taxon

Monarda punctata

1 reference

stated in

A lipase inhibitor monoterpene and monoterpene glycosides from Monarda punctata

Identifiers

InChI

InChI=1S/C29H30O17/c30-9-19-23(37)24(38)25(46-28-26(39)29(40,11-42-28)10-41-21(36)8-20(34)35)27(45-19)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1

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InChIKey

MQZQSQJNCILYCI-CQRLEKJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQZQSQJNCILYCI-CQRLEKJLSA-N

(Q105170424)

3-[[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methoxy]-3-oxopropanoic acid

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