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CHEBI:190264 - Penitrem E
| Formula | C37H45NO6 |
| Net Charge | 0 |
| Average Mass | 599.768 |
| Monoisotopic Mass | 599.32469 |
| SMILES | [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@H](C(=C)C)[C@H](O)[C@@]5([H])O[C@@]345)[C@@]1(C)c1nc3ccc4c5c3c1[C@@]2([H])OC(C)(C)[C@@]1([H])C[C@]([H])(C(=C)C4)[C@]51O |
| InChI | InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1 |
| InChIKey | LTCFBVUSILPMGG-BRSLXYMHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penitrem E (CHEBI:190264) is a organic heterotricyclic compound (CHEBI:26979) |
| Penitrem E (CHEBI:190264) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol |