CHEBI:208675 - Nafuredin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nafuredin B
ChEBI ID CHEBI:208675
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.495
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-6-17(2)11-9-12-19(4)16-18(3)10-7-8-13-20-22(5,24)15-14-21(23)25-20/h7-15,17-18,20,24H,6,16H2,1-5H3/b10-7+,11-9+,13-8+,19-12+/t17-,18-,20+,22-/m0/s1
InChIKey TZKWUDHMMMXQDI-UIUNBINMSA-N
SMILES O=C1O[C@H](/C=C/C=C/[C@@H](C/C(=C/C=C/[C@H](CC)C)/C)C)[C@](O)(C)C=C1
ChEBI Ontology
Outgoing Nafuredin B (CHEBI:208675) is a pyranone (CHEBI:37963)
IUPAC Name
(2R,3S)-3-hydroxy-3-methyl-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-2H-pyran-6-one
Manual Xref Database
63002541 ChemSpider
View more database links