(Q104938772)

English

4-[3-Carboxy-1-oxo-1-[[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methoxy]propan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid

group of stereoisomers with the chemical formula C₂₇H₂₆O₂₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

670.101743232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₆O₂₀

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canonical SMILES

O=C(O)CC(C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC3C(=O)O

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found in taxon

Phyllanthus emblica

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stated in

Novel norsesquiterpenoids from the roots of Phyllanthus emblica

Identifiers

InChI

InChI=1S/C27H26O20/c28-9-1-6(2-10(29)16(9)33)24(41)47-27-21(38)20(37)18(35)12(45-27)5-44-25(42)8(4-13(31)32)15-14-7(3-11(30)17(34)19(14)36)26(43)46-22(15)23(39)40/h1-3,8,12,15,18,20-22,27-30,33-38H,4-5H2,(H,31,32)(H,39,40)

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InChIKey

BNFJLSCQEIACTE-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BNFJLSCQEIACTE-UHFFFAOYSA-N

(Q104938772)

4-[3-Carboxy-1-oxo-1-[[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methoxy]propan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid

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