4-Hydroxymandelic acid monohydrate

cas:184901-84-6 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:184901-84-6
Ontology term
CHEBI:16388 — 4-hydroxymandelic acid
Ontology label
4-hydroxymandelic acid

Synonyms (1)

SynonymTypeSourceOccurrences
hydroxy(4-hydroxyphenyl)acetic acid EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
184901-84-6
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C8H10O5
Smiles
C1=CC(=CC=C1C(C(=O)O)O)O.O
Inchi
InChI=1S/C8H8O4.H2O/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H2
Pubchem cid
12677290

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 184901-84-6 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 CHEBI via OLS (stem-substring)

Parent class identified via stem-substring; matched_via='4-Hydroxymandelic acid monohydrate'

DATABASE_MATCH via MIM curation (#342)

mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:16388 ('4-hydroxymandelic acid') — a subsumption ChEBI itself denies: it files hydrates under CHEBI:35505 'hydrate', never under the anhydrous compound, which is not an ancestor even transitively. A hydrate is a distinct substance containing the anhydrous form, not a specialization of it. closeMatch claims similarity without subsumption. The ontology_id and the record's own identifier are unchanged.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:184901-84-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.888259+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:24.877719+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C8H10O5; smiles=C1=CC(=CC=C1C(C(=O)O)O)O.O; inchi=InChI=1S/C8H8O4.H2O/c9-6-3-1-5(2-4-6)7(10)8(11)12;
2026-05-02T03:12:12.070481+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:38:06.877795+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:16388 (stem-substring)
2026-08-13T00:00:00+00:00 regrade_hydrate_to_close_match REGRADED_HYDRATE_TO_CLOSE_MATCH mapping_quality NARROW_MATCH -> CLOSE_MATCH (#342); a hydrate is not subsumed by its anhydrous form, and ChEBI does not model it as such.