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CHEBI:176957 - Terpendole B
| Formula | C27H35NO3 |
| Net Charge | 0 |
| Average Mass | 421.581 |
| Monoisotopic Mass | 421.26169 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@](C)(CC[C@]4([H])O[C@]([H])(C(C)(C)O)C[C@@]5([H])O[C@]354)[C@@]1(C)c1nc3ccccc3c1C2 |
| InChI | InChI=1S/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19+,20-,21-,22+,25-,26+,27-/m0/s1 |
| InChIKey | ZUYOYPXENZYYBN-SDVLGWPOSA-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) |
| Terpendole B (CHEBI:176957) is a organic heterotricyclic compound (CHEBI:26979) |
| Terpendole B (CHEBI:176957) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2-[(1S,2S,5S,7S,9R,11R,12R,15S)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraen-7-yl]propan-2-ol |
| UniProt Name | Source |
|---|---|
| terpendole B | UniProt |