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CHEBI:217792 - Spirohexenolide A

ChEBI IDCHEBI:217792
ChEBI NameSpirohexenolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](O)/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3
InChIInChI=1S/C25H28O5/c1-15-6-5-7-19(26)10-18-8-9-20(29-14-18)21-22(27)25(30-23(21)28)13-17(3)16(2)12-24(25,4)11-15/h5-6,8-12,17,19,26H,7,13-14H2,1-4H3/b6-5+,15-11+,18-10-,21-20+/t17-,19+,24-,25+/m0/s1
InChIKeySWMOMSBFRQXQAA-DPMNTXOZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (19883063)
ChEBI Ontology
Outgoing Relation(s)
Spirohexenolide A (CHEBI:217792) is a macrolide (CHEBI:25106)
IUPAC Name 
(1E,5S,7S,10R,11E,13E,16R,17Z)-16-hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
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30811306ChemSpider