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CHEBI:190262 - Penitrem C
| Formula | C37H44ClNO4 |
| Net Charge | 0 |
| Average Mass | 602.215 |
| Monoisotopic Mass | 601.29589 |
| SMILES | C=C1Cc2c(Cl)cc3nc4c5c3c2C2C1CC2C(C)(C)OC5C1CCC2(O)C3=CC(O)C(C(=C)C)OC3CCC2(C)C41C |
| InChI | InChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3 |
| InChIKey | BVVRIERIEDMORG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomiumspecies (ncbitaxon:1769349) | - | DOI (10.1039/p19830001857) | |
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penitrem C (CHEBI:190262) is a organic heterotricyclic compound (CHEBI:26979) |
| Penitrem C (CHEBI:190262) is a organooxygen compound (CHEBI:36963) |
| IUPAC Names |
|---|
| (1S,2R,5S,8R,9R,11S,14R,15S,24S,26S,27S)-20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol |
| 20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol |