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CHEBI:199658 - Tubingensin B
| Formula | C28H35NO |
| Net Charge | 0 |
| Average Mass | 401.594 |
| Monoisotopic Mass | 401.27186 |
| SMILES | CC(C)[C@@]12CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@]3(CC1)c1cc3c(cc12)nc1ccccc13 |
| InChI | InChI=1S/C28H35NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,15-18,25,29-30H,9-14H2,1-4H3/t18-,25+,26+,27-,28+/m1/s1 |
| InChIKey | VQBYLQIQOJUYEJ-ZARMMOAGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus tubingensis (ncbitaxon:5068) | - | DOI (10.1016/s0040-4039(01)93829-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tubingensin B (CHEBI:199658) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (1S,15R,18S,19R,22S)-18,19-dimethyl-15-propan-2-yl-11-azahexacyclo[13.7.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5,7,9,12-hexaen-22-ol |
| Manual Xrefs | Databases |
|---|---|
| 78436144 | ChemSpider |