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Theaflavin-3,3'-digallate

chemical compound
ChemicalSubstance type_of_chemical_entity Q7777226
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Theaflavin-3,3'-digallate

Summary

Theaflavin-3,3'-digallate is a type of chemical entity[1]. Theaflavin-3,3'-digallate ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (4 views/month).[2]

Key Facts

  • Theaflavin-3,3'-digallate's instance of is recorded as type of chemical entity[3].
  • Theaflavin-3,3'-digallate's CAS Registry Number is recorded as 33377-72-9[4].
  • Theaflavin-3,3'-digallate's canonical SMILES is recorded as O=C(OC1=CC(O)=C2C(OC(C=3C=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C5C(=O)C(O)=CC(=CC53)C6OC=7C=C(O)C=C(O)C7CC6O)C(O)C2)=C1)C8=CC(O)=C(O)C(O)=C8[5].
  • Theaflavin-3,3'-digallate's InChI is recorded as InChI=1S/C43H32O20/c44-17-7-23(45)21-12-30(52)39(61-33(21)8-17)14-1-19-20(11-32(54)41(35(19)38(57)29(51)2-14)63-43(59)16-5-27(49)37(56)28(50)6-16)40-31(53)13-22-24(46)9-18(10-34(22)62-40)60-42(58)15-3-25(47)36(55)26(48)4-15/h1-11,30-31,39-40,44-50,52-56H,12-13H2,(H,51,57)/t30-,31-,39?,40-/m1/s1[6].
  • Theaflavin-3,3'-digallate's InChIKey is recorded as TUJOKWPTOVJHLY-JBJHRQGLSA-N[7].
  • Theaflavin-3,3'-digallate's chemical formula is recorded as C₄₃H₃₂O₂₀[8].
  • Theaflavin-3,3'-digallate's subclass of is recorded as chromane[9].
  • Theaflavin-3,3'-digallate's part of is recorded as black tea[10].
  • Theaflavin-3,3'-digallate's Freebase ID is recorded as /m/02z1dtz[11].
  • Theaflavin-3,3'-digallate's ChemSpider ID is recorded as 20019479[12].
  • Theaflavin-3,3'-digallate's PubChem CID is recorded as 5748168[13].
  • Theaflavin-3,3'-digallate's PubChem CID is recorded as 135770369[14].
  • Theaflavin-3,3'-digallate's found in taxon is recorded as Camellia sinensis[15].
  • Theaflavin-3,3'-digallate's found in taxon is recorded as Matricaria chamomilla[16].
  • Theaflavin-3,3'-digallate's found in taxon is recorded as Mentha piperita piperita[17].
  • Theaflavin-3,3'-digallate's found in taxon is recorded as Chamomilla recutita[18].
  • Theaflavin-3,3'-digallate's isomeric SMILES is recorded as Oc1cc(cc(O)c1O)C(=O)Oc5c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c6\C=C(/C=C(/OC(=O)c4cc(O)c(O)c(O)c4)C(=O)c56)[C@H]7Oc8cc(O)cc(O)c8C[C@H]7O[19].
  • Theaflavin-3,3'-digallate's mass is recorded as {'unit': 'Q483261', 'amount': '+868.148693424'}[20].
  • Theaflavin-3,3'-digallate's SureChEMBL ID is recorded as 28693828[21].
  • Theaflavin-3,3'-digallate's DSSTox substance ID is recorded as DTXSID00905107[22].
  • Theaflavin-3,3'-digallate's Microsoft Academic ID is recorded as 2775973373[23].
  • Theaflavin-3,3'-digallate's DSSTOX compound identifier is recorded as DTXCID401334270[24].
  • Theaflavin-3,3'-digallate's UniChem compound ID is recorded as 42245992[25].

Why It Matters

Theaflavin-3,3'-digallate ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (4 views/month).[2]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [3] ↑ . wikidata.org.
  2. [4] ↑ . wikidata.org.
  3. [5] ↑ . wikidata.org.
  4. [6] ↑ . PubChem. wikidata.org.
  5. [7] ↑ . PubChem. wikidata.org.
  6. [8] ↑ . PubChem. wikidata.org.
  7. [9] ↑ . wikidata.org.
  8. [10] ↑ . wikidata.org.
  9. [11] ↑ . wikidata.org.
  10. [12] ↑ . wikidata.org.
  11. [13] ↑ . wikidata.org.
  12. [14] ↑ . wikidata.org.
  13. [15] ↑ . Estimation of black tea quality by analysis of chemical composition and colour difference of tea infusions. wikidata.org.
  14. [16] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  15. [17] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  16. [18] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  17. [19] ↑ . wikidata.org.
  18. [20] ↑ . wikidata.org.
  19. [21] ↑ . wikidata.org.
  20. [22] ↑ . wikidata.org.
  21. [23] ↑ . wikidata.org.
  22. [24] ↑ . wikidata.org.
  23. [25] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

Aggregate / graph-position facts

  1. [2] ↑ . Wikimedia Foundation. dumps.wikimedia.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). Theaflavin-3,3'-digallate. Retrieved May 3, 2026, from https://4ort.xyz/entity/theaflavin-3-3-digallate
MLA “Theaflavin-3,3'-digallate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/theaflavin-3-3-digallate.
BibTeX @misc{4ortxyz_theaflavin-3-3-digallate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Theaflavin-3,3'-digallate}}, year = {2026}, url = {https://4ort.xyz/entity/theaflavin-3-3-digallate}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): Theaflavin-3,3'-digallate — https://4ort.xyz/entity/theaflavin-3-3-digallate (retrieved 2026-05-03)

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