rubradirin

CHEBI:223718 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:223718
Ontology label
Rubradirin B

Synonyms (1)

SynonymTypeSourceOccurrences
[(10E,12S,13S,14R,16S)-7,14-dihydroxy-6,10,12,16-tetramethyl-2,9,15,21-tetraoxo-20-oxa-18-azatetracyclo[14.3.1.14,19.03,8]henicosa-1(19),3,5,7,10-pentaen-13-yl] 3-hydroxy-6-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)carbamoyl]pyridine-2-carboxylate EXACT_SYNONYM chebi_synonym_review

Rejected enrichment labels (1)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
produces: rubradirin REJECTED_LABEL sssom_other_backfill

Chemical properties

Molecular formula
C40H33N3O15
Inchi
InChI=1S/C40H33N3O15/c1-14-10-16(3)34(33(50)36(51)40(4)13-41-26-31(48)19-11-15(2)29(46)24(28(14)45)23(19)32(49)35(26)58-40)57-38(53)25-21(44)9-8-20(42-25)37(52)43-27-30(47)18-7-6-17(55-5)12-22(18)56-39(27)54/h6-12,16,33-34,41,44,46-47,50H,13H2,1-5H3,(H,43,52)/b14-10+/t16-,33+,34-,40-/m0/s1
Smiles
COc1ccc2c(O)c(NC(=O)c3ccc(O)c(C(=O)O[C@H]4[C@@H](C)/C=C(C)C(=O)c5c(O)c(C)cc6c5C(=O)C5=C(NC[C@](C)(O5)C(=O)[C@@H]4O)C6=O)n3)c(=O)oc2c1
Data source
CHEBI sqlite (oaklib)

Evidence (1)

LEXICAL_MATCH via kgmicrobe.compound:rubradirin

Auto-curated from UNMAPPED_PENDING_CURATION queue; OLS exact-label match

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-19T08:04:25.996476+00:00 audit_propose_chebi_for_unmapped CREATED_FROM_UNMAPPED_QUEUE MAPPED Created new ingredient from kgmicrobe.compound:rubradirin with auto-curated CHEBI CHEBI:223718 (Rubradirin B)
2026-05-01T07:35:36.102150+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:32.192837+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C40H33N3O15; inchi=InChI=1S/C40H33N3O15/c1-14-10-16(3)34(33(50)36(51); smiles=COc1ccc2c(O)c(NC(=O)c3ccc(O)c(C(=O)O[C@H]4[C@@H](C
2026-05-02T03:12:18.159387+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
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: 'produces: rubradirin'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).
2026-09-22T06:14:49.563933+00:00 claude LLM REJECTED_TRAIT_SYNONYMS Retyped activity/assay phrases as provenance-only REJECTED_LABEL because they describe a process or organism trait, not an ingredient name (#703): 'produces: rubradirin'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.