(Q105383014)

English

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

group of stereoisomers with the chemical formula C₃₁H₃₀O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

658.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₀O₁₆

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canonical SMILES

O=C1OC=2C=C(OC3=CC=4C=C(OC)C(OC5OC(COC(=O)CC(O)(C)CC(=O)O)C(O)C(O)C5O)=CC4OC3=O)C=CC2C=C1

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isomeric SMILES

COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Thymelaea lythroides

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stated in

Chemical constituents from aerial parts of Thymelaea lythroides

Identifiers

InChI

InChI=1S/C31H30O16/c1-31(40,11-23(32)33)12-25(35)42-13-22-26(36)27(37)28(38)30(47-22)46-20-10-18-15(7-19(20)41-2)8-21(29(39)45-18)43-16-5-3-14-4-6-24(34)44-17(14)9-16/h3-10,22,26-28,30,36-38,40H,11-13H2,1-2H3,(H,32,33)/t22-,26-,27+,28-,30-,31?/m1/s1

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InChIKey

ZTLZGWDERZVHNS-AEJCFSGASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZTLZGWDERZVHNS-AEJCFSGASA-N

1 reference

(Q105383014)

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

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Identifiers

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