(Q82912659)

English

5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)hexopyranoside

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

flavanone

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6,8C-substituted flavanone

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mass

620.2105058319999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₆O₁₄

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canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=C(O)C=3C(=O)CC(OC3C2C)C4=CC=C(OC)C=C4)C)C(O)C(O)C1O

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isomeric SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(C)c3O2)cc1

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Identifiers

InChI

InChI=1S/C30H36O14/c1-13-23(35)22-17(31)9-18(15-5-7-16(40-4)8-6-15)42-28(22)14(2)27(13)44-29-26(38)25(37)24(36)19(43-29)12-41-21(34)11-30(3,39)10-20(32)33/h5-8,18-19,24-26,29,35-39H,9-12H2,1-4H3,(H,32,33)/t18-,19+,24+,25-,26+,29-,30?/m0/s1

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InChIKey

SMLRKPPCBXFZQW-SKAYDIONSA-N

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

SMLRKPPCBXFZQW-SKAYDIONSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SMLRKPPCBXFZQW-SKAYDIONSA-N

DSSTOX compound identifier

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

SMLRKPPCBXFZQW-SKAYDIONSA-N

(Q82912659)

5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)hexopyranoside

Statements

Identifiers

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