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CHEBI:188552 - A 21101-IL
| Formula | C20H18N2O7S2 |
| Net Charge | 0 |
| Average Mass | 462.505 |
| Monoisotopic Mass | 462.05554 |
| SMILES | CC(=O)OC1C=COC=C2CC34SSC5(CC6=COC=CC(O)C6N5C3=O)C(=O)N4C21 |
| InChI | InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3 |
| InChIKey | HXWOWBFXYUFFKS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phyllostachys violascens (ncbitaxon:1903417) | stem (BTO:0001300) | MetaboLights (MTBLS3970) | Strain: Phyllostachys violascens cv. Viridisulcata |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| A 21101-IL (CHEBI:188552) is a 2,5-diketopiperazines (CHEBI:65061) |
| A 21101-IL (CHEBI:188552) is a indoles (CHEBI:24828) |
| A 21101-IL (CHEBI:188552) is a organic disulfide (CHEBI:35489) |
| A 21101-IL (CHEBI:188552) is a organic heteropentacyclic compound (CHEBI:38164) |
| IUPAC Name |
|---|
| (16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate |