CHEBI:217792 - Spirohexenolide A

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 Spirohexenolide A
ChEBI ID CHEBI:217792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O5
Net Charge 0
Average Mass 408.494
Monoisotopic Mass 408.19367
InChI InChI=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
InChIKey SWMOMSBFRQXQAA-DPMNTXOZSA-N
SMILES O=C1O[C@@]23[C@@](C=C(C=CC[C@H](C=C4COC(=C1C2=O)C=C4)O)C)(C=C(C)[C@H](C3)C)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
30811306 ChemSpider
View more database links