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CHEBI:200877 - Hydroxycyanobacterin
| Formula | C22H23ClO5 |
| Net Charge | 0 |
| Average Mass | 402.874 |
| Monoisotopic Mass | 402.12340 |
| SMILES | COc1ccc(/C=C2\OC(=O)[C@H](Cc3ccc(O)c(Cl)c3)[C@]2(O)C(C)C)cc1 |
| InChI | InChI=1S/C22H23ClO5/c1-13(2)22(26)17(10-15-6-9-19(24)18(23)11-15)21(25)28-20(22)12-14-4-7-16(27-3)8-5-14/h4-9,11-13,17,24,26H,10H2,1-3H3/b20-12-/t17-,22+/m0/s1 |
| InChIKey | RSVNZCJGMZWPMU-ITMNURAISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Scytonema hofmannii (ncbitaxon:34078) | - | DOI (10.1016/0168-9452(94)90203-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hydroxycyanobacterin (CHEBI:200877) is a methoxybenzenes (CHEBI:51683) |
| IUPAC Name |
|---|
| (3R,4R,5Z)-3-[(3-chloro-4-hydroxyphenyl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78440090 | ChemSpider |