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CHEBI:218550 - Stachybisbin A

ChEBI IDCHEBI:218550
ChEBI NameStachybisbin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O5
Net Charge0
Average Mass384.472
Monoisotopic Mass384.19367
SMILESCC(C)=CCC[C@]1(C)Oc2cc3c(c4occ(c24)[C@H]1CC[C@H](C)O)C(=O)OC3
InChIInChI=1S/C23H28O5/c1-13(2)6-5-9-23(4)17(8-7-14(3)24)16-12-26-21-19-15(11-27-22(19)25)10-18(28-23)20(16)21/h6,10,12,14,17,24H,5,7-9,11H2,1-4H3/t14-,17+,23-/m0/s1
InChIKeyAPLITTLINYLXFS-KNUWZQJKSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys bisbyi (ncbitaxon:80385) - PubMed (26149533)
ChEBI Ontology
Outgoing Relation(s)
Stachybisbin A (CHEBI:218550) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(10S,11R)-11-[(3S)-3-hydroxybutyl]-10-methyl-10-(4-methylpent-3-enyl)-4,9,14-trioxatetracyclo[6.6.1.02,6.012,15]pentadeca-1,6,8(15),12-tetraen-3-one
Manual XrefsDatabases
78443417ChemSpider