CHEBI:199662 - Spirohexenolide B

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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 B
ChEBI ID CHEBI:199662
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O4
Net Charge 0
Average Mass 392.495
Monoisotopic Mass 392.19876
InChI InChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3/b8-6+,16-12+,19-9-,21-20+/t18-,24-,25+/m0/s1
InChIKey HFHJEHWFJWGNEW-GEBXAXSLSA-N
SMILES O=C1O[C@@]23[C@@](C=C(C=CCCC=C4COC(=C1C2=O)C=C4)C)(C=C(C)[C@H](C3)C)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
ChEBI Ontology
Outgoing Spirohexenolide B (CHEBI:199662) is a macrolide (CHEBI:25106)
IUPAC Name
(1E,5S,7S,10R,11E,13E,17Z)-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