CHEBI:207617 - Hebetaeltin D

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ChEBI Name Hebetaeltin D
ChEBI ID CHEBI:207617
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30O6
Net Charge 0
Average Mass 426.509
Monoisotopic Mass 426.20424
InChI InChI=1S/C25H30O6/c1-5-6-7-8-16-13-18(27)17-14-19-23(4,31-21(17)30-16)11-12-25(29)22(2,3)20(28)9-10-24(19,25)15-26/h5-8,13-14,26,29H,9-12,15H2,1-4H3/b6-5+,8-7+/t23-,24+,25-/m1/s1
InChIKey XTZQCANTSHHQLQ-ZYAPZJJMSA-N
SMILES O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@](C3=C2)(CCC(C4(C)C)=O)CO)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Hebetaeltin D (CHEBI:207617) is a organic heterotricyclic compound (CHEBI:26979)
Hebetaeltin D (CHEBI:207617) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2R,7S,10R)-7-hydroxy-2-(hydroxymethyl)-6,6,10-trimethyl-14-[(1E,3E)-penta-1,3-dienyl]-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),14-triene-5,16-dione
Manual Xref Database
78440341 ChemSpider
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