(Q76084878)

English

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3',3'',3''',4',4''',5,5'',7,7''-Nonahydroxy-3,8''-biflavanone

1 reference

based on heuristic

inferred from SMILES

mass

590.106040764 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₂O₁₃

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canonical SMILES

O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C(O)=C3)C1O)C4C(=O)C=5C(O)=CC(O)=CC5OC4C6=CC=C(O)C(O)=C6

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isomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)[C@@H]([C@H](O5)C6=CC(=C(C=C6)O)O)O)O)O

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found in taxon

Garcinia kola

1 reference

stated in

Isolation and structure elucidation of highly antioxidative 3,8″-linked biflavanones and flavanone-C-glycosides from Garcinia buchananii bark.

Garcinia mannii

1 reference

stated in

Isolation and structure elucidation of highly antioxidative 3,8″-linked biflavanones and flavanone-C-glycosides from Garcinia buchananii bark.

Gnidia involucrata

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stated in

Benzophenone glycosides from Gnidia involucrata

stated in

Benzophenone glycosides from Gnidia involucrata

stated in

Benzophenone glycosides from Gnidia involucrata

Identifiers

InChI

InChI=1S/C30H22O13/c31-12-7-17(36)21-20(8-12)42-28(10-1-3-13(32)15(34)5-10)24(25(21)39)22-18(37)9-19(38)23-26(40)27(41)29(43-30(22)23)11-2-4-14(33)16(35)6-11/h1-9,24,27-29,31-38,41H/t24-,27-,28+,29+/m0/s1

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InChIKey

UKRJEVDCOVVSAB-BENTYHEHSA-N

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CAS Registry Number

73428-17-8

1 reference

InChIKey

UKRJEVDCOVVSAB-BENTYHEHSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=73428-17-8

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1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

(Q76084878)

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

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