D-(+)-Melezitose hydrate

cas:207511-10-2 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:207511-10-2
Ontology term
CHEBI:6731 — melezitose
Ontology label
melezitose

Nutritional roles

Synonyms (1)

SynonymTypeSourceOccurrences
D-melezitose (melezitose) RAW_TEXT sssom_other_backfill

Chemical properties

Cas rn
207511-10-2
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C18H34O17
Smiles
C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O
Inchi
InChI=1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1
Pubchem cid
16217716

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 207511-10-2 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 anchor_cas_hydrate_records

D-(+)-Melezitose hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:6731 'melezitose' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. unspecified hydrate of melezitose

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:6731 ('melezitose') — 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:207511-10-2 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:33.048099+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:26.234620+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C18H34O17; smiles=C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O); inchi=InChI=1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16
2026-05-02T03:12:13.714067+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-03T02:06:01.738273+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
2026-08-05T18:02:35.008352+00:00 anchor_cas_hydrate_records LLM CORRECTED Added Section 3 anchor rows: narrowMatch CHEBI:6731 'melezitose' and registry kgmicrobe.compound:d-_-melezitose_hydrate. identifier cas:207511-10-2 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. unspecified hydrate of melezitose
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.
2026-09-02T17:40:44.716277+00:00 claude_sssom_surface_form_backfill ADDED_SYNONYMS Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'D-melezitose (melezitose)'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).