CHEBI:204487 - Hebetaeltin B

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ChEBI Name Hebetaeltin B
ChEBI ID CHEBI:204487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32O5
Net Charge 0
Average Mass 412.526
Monoisotopic Mass 412.22497
InChI InChI=1S/C25H32O5/c1-6-7-8-9-16-14-18(26)17-15-19-23(4)11-10-20(27)22(2,3)25(23,28)13-12-24(19,5)30-21(17)29-16/h6-9,14,19,28H,10-13,15H2,1-5H3/b7-6+,9-8+/t19-,23-,24-,25-/m1/s1
InChIKey XXHQUPUACYOBLJ-LRJFGXOXSA-N
SMILES O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@]([C@H]3C2)(CCC(C4(C)C)=O)C)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Hebetaeltin B (CHEBI:204487) is a organic heterotricyclic compound (CHEBI:26979)
Hebetaeltin B (CHEBI:204487) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2R,7S,10R)-7-hydroxy-2,6,6,10-tetramethyl-14-[(1E,3E)-penta-1,3-dienyl]-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-diene-5,16-dione
Manual Xref Database
78440188 ChemSpider
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