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CHEBI:176941 - Holyrine A
| Formula | C26H24N4O3 |
| Net Charge | 0 |
| Average Mass | 440.503 |
| Monoisotopic Mass | 440.18484 |
| SMILES | C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6nc5c32)CNC4=O)C[C@@H](N)[C@H]1O |
| InChI | InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1 |
| InChIKey | QNQXRLNOOGRQEB-FUJFFIKUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptococcus mutans (ncbitaxon:1309) | biofilm (BTO:0002690) | MetaboLights (MTBLS3020) | Strain: Streptococcus mutans UA159 [NCBI:txid210007] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Holyrine A (CHEBI:176941) is a indolocarbazole (CHEBI:51915) |
| IUPAC Name |
|---|
| 3-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one |