Ontology mapping
- Primary identifier
-
cas:37331-28-5 - Ontology term
-
mesh:C002076— pustulan - Ontology label
- pustulan
Nutritional roles
- Role
- CARBON_SOURCE
- Confidence
- 0.8
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from curated media-role name pattern
- Curator note
- Provisional role from a curated name-pattern rule; review recommended.
Chemical properties
- Cas rn
- 37331-28-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C20H34O17
- Smiles
- CC(=O)OC1C(C(C(OC1OCC2C(C(C(C(O2)O)O)O)O)COC3C(C(C(C(O3)CO)O)O)O)O)O
- Inchi
- InChI=1S/C20H34O17/c1-5(22)34-17-14(28)11(25)8(4-32-19-16(30)13(27)9(23)6(2-21)36-19)37-20(17)33-3-7-10(24)12(26)15(29)18(31)35-7/h6-21,23-31H,2-4H2,1H3
- Pubchem cid
- 163304499
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 37331-28-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via MESH via OLS (label-exact)
Parent class identified via label-exact; matched_via='Pustulan'
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:37331-28-5 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.940479+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:47.787771+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C20H34O17; smiles=CC(=O)OC1C(C(C(OC1OCC2C(C(C(C(O2)O)O)O)O)COC3C(C(C; inchi=InChI=1S/C20H34O17/c1-5(22)34-17-14(28)11(25)8(4-3 | |
| 2026-05-02T03:12:17.951361+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:58:08.057415+00:00 | backfill_parent_terms | BACKFILL_PARENT_MESH | set ontology_mapping parent=mesh:C002076 (label-exact) | |
| 2026-06-03T02:06:01.748478+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CARBON_SOURCE (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE |