CHEBI:214911 - Penisporolide 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 Penisporolide B
ChEBI ID CHEBI:214911
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O5
Net Charge 0
Average Mass 310.390
Monoisotopic Mass 310.17802
InChI InChI=1S/C17H26O5/c1-4-5-11(18)6-7-12-8-9-17(21-12)10-13-14(22-17)16(2,3)15(19)20-13/h12-14H,4-10H2,1-3H3/t12-,13+,14-,17-/m1/s1
InChIKey VSQDCUDZISJHTP-UMPJEAMMSA-N
SMILES O=C1O[C@H]2C[C@]3(O[C@H](CCC(=O)CCC)CC3)O[C@H]2C1(C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Penisporolide B (CHEBI:214911) is a furofuran (CHEBI:47790)
IUPAC Name
(3aS,5R,5'R,6aS)-3,3-dimethyl-5'-(3-oxohexyl)spiro[6,6a-dihydro-3aH-uro[3,2-b]uran-5,2'-oxolane]-2-one
Manual Xref Database
62816309 ChemSpider
View more database links