Ontology mapping
- Primary identifier
-
CHEBI:136609 - Ontology label
- theaflavin
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Molecular formula
- C29H24O12
- Inchi
- InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
- Smiles
- [H][C@]1(c2cc(=O)c(O)c3c(O)c(O)cc([C@@]4([H])Oc5cc(O)cc(O)c5C[C@H]4O)c3c2)Oc2cc(O)cc(O)c2C[C@H]1O
- Data source
- CHEBI sqlite (oaklib)
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=—); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.583023+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.655095+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C29H24O12; inchi=InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40; smiles=[H][C@]1(c2cc(=O)c(O)c3c(O)c(O)cc([C@@]4([H])Oc5cc | |
| 2026-05-02T03:12:18.804475+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |