loading...| Preferred Name |
Tetronasin |
| Synonyms |
3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione |
| ID |
http://purl.obolibrary.org/obo/CHEBI_190849 |
| charge |
0 |
| formula |
C35H54O8 |
| has_exact_synonym |
3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:190849 |
| in_subset | |
| inchi |
InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+,32-31?/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1 |
| inchikey |
XZJAKURZQBNKKX-ROSSAGPCSA-N |
| label |
Tetronasin |
| mass |
602.809 |
| monoisotopicmass |
602.38187 |
| notation |
CHEBI:190849 |
| prefLabel |
Tetronasin |
| smiles |
O1[C@@H](C(=C\[C@@H]2[C@]([C@@H](CCC2)C)([C@H](C)C(O)=C3C(=O)COC3=O)[H])\CO)[C@@H](CC[C@H]1\C=C\[C@@H]([C@@]4(O[C@](C[C@@H]4C)([C@@H](OC)C)[H])[H])C)C |
| treeView | |
| subClassOf |