Atrop Abyssomicin C

Ontology mapping

Primary identifier: CHEBI:208735
Ontology label: Atrop-Abybetaomicin C

Physicochemical roles

Role
SELECTIVE_AGENT
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.

Synonyms (1)

Synonym	Type	Source	Occurrences
atrop-abyssomicin C	EXACT_SYNONYM	unmapped_duplicate_review_2026_05_07

Chemical properties

Molecular formula: C19H22O6
Inchi: InChI=1S/C19H22O6/c1-8-6-9(2)14(21)13-17-19(25-18(13)23)7-10(3)16(24-17)15(22)11(19)4-5-12(8)20/h4-5,8-11,15-16,22H,6-7H2,1-3H3/b5-4-
Smiles: CC1CC(C)C(=O)C2=C3OC4C(C)CC3(OC2=O)C(/C=CC1=O)C4O
Data source: structure from chebi.db CHEBI:208735 (#312)
Pubchem cid: 23232701

Evidence (3)

DATABASE_MATCH via kg-microbe metatraits unmapped_compounds.tsv

Imported from kg-microbe's unmapped placeholder namespace. Ingested into MIM's pipeline; confidence=LOW; rationale=5 candidates; top OLS candidates: CHEBI:208735(Atrop-Abybetaomicin C), CHEBI:70593(Abyssomicin I), CHEBI:226794(Atrop-Ilyoresorcy A). Pending curator promotion to a CHEBI/NCIT primary identifier.

DATABASE_MATCH via MESH via EBI OLS exact synonym search

Promoted from kgmicrobe.compound:atrop_abyssomicin_c after OLS returned mesh:C509797 with exact synonym "Atrop Abyssomicin C".

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier mesh:C509797 -> CHEBI:208735; ontology mesh:C509797 ('abyssomicin C') -> CHEBI:208735 ('Atrop-Abybetaomicin C'); mapping_quality EXACT_MATCH -> MANUAL_CURATION. MeSH SCR C509797 is 'abyssomicin C'; NLM lists 'atrop-abyssomicin C' as a separate, narrower concept (M0511053) that OLS flattened into a synonym, so the record sat on the broader compound. ChEBI has the atropisomer as CHEBI:208735 'Atrop-Abybetaomicin C' (the label's 'ss' was corrupted to 'beta' upstream), C19H22O6, InChIKey FNEADFUPWHAVTA-PLNGDYQASA-N, which equals PubChem CID 23232701 'atrop-abyssomicin C'. No name matches lexically because of the corruption and the record has no CAS, so the grade is MANUAL_CURATION: identity rests on the InChIKey/IUPAC agreement.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-26T04:54:19.839959+00:00	audit_curate_unmapped_kgm_antibiotics	CREATED_FROM_KGM_PLACEHOLDER	MAPPED	Created MIM record from kg-microbe placeholder kgmicrobe.compound:atrop_abyssomicin_c; OLS search across CHEBI+NCIT returned LOW-confidence (5 candidates). Identifier kept as kgmicrobe.compound: until upstream curation finds a CHEBI/NCIT primary.
2026-05-01T07:35:32.285969+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (kgmicrobe.compound placeholder (defined))
2026-05-02T03:12:12.620645+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (kgmicrobe.compound placeholder (defined))
2026-05-06T00:00:00+00:00	unknown_term_placeholder_ols_review	PROMOTED_FROM_KGM_PLACEHOLDER	MAPPED	primary kgmicrobe.compound:atrop_abyssomicin_c → mesh:C509797 after EBI OLS exact synonym match to "Atrop Abyssomicin C".
2026-05-07T00:00:00+00:00	unmapped_duplicate_review_2026_05_07	MERGED_FROM_UNMAPPED_DUPLICATE	MAPPED	Absorbed duplicate unmapped record Atrop-abyssomicin_C.yaml (UNMAPPED_0591); MESH target mesh:C509797 resolves in EBI OLS and the source label is an exact variant of the mapped record.
2026-06-02T07:05:13.386427+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: SELECTIVE_AGENT (confidence: 0.80)
2026-07-20T00:00:00+00:00	migrate_media_roles_to_facets	ANNOTATED		Migrated legacy media_roles to role facets (#128): SELECTIVE_AGENT -> physicochemical_roles.SELECTIVE_AGENT
2026-09-23T00:44:54.462592+00:00	claude LLM	REGROUNDED_IDENTITY	MAPPED	identifier mesh:C509797 -> CHEBI:208735; ontology mesh:C509797 ('abyssomicin C') -> CHEBI:208735 ('Atrop-Abybetaomicin C'); mapping_quality EXACT_MATCH -> MANUAL_CURATION. MeSH SCR C509797 is 'abyssomicin C'; NLM lists 'atrop-abyssomicin C' as a separate, narrower concept (M0511053) that OLS flattened into a synonym, so the record sat on the broader compound. ChEBI has the atropisomer as CHEBI:208735 'Atrop-Abybetaomicin C' (the label's 'ss' was corrupted to 'beta' upstream), C19H22O6, InChIKey FNEADFUPWHAVTA-PLNGDYQASA-N, which equals PubChem CID 23232701 'atrop-abyssomicin C'. No name matches lexically because of the corruption and the record has no CAS, so the grade is MANUAL_CURATION: identity rests on the InChIKey/IUPAC agreement. (#312)