CHEBI:203852 - Hebetaeltin C

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ChEBI Name Hebetaeltin C
ChEBI ID CHEBI:203852
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/c1-5-6-7-8-15-13-16(26)18-19-20-23(4,31-21(18)30-15)11-12-25(28)22(2,3)17(27)9-10-24(20,25)14-29-19/h5-8,13,19-20,28H,9-12,14H2,1-4H3/b6-5+,8-7+/t19-,20-,23+,24-,25+/m0/s1
InChIKey LEVFOQZSXJAMIP-IHPDWLGDSA-N
SMILES O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@]5([C@H]3[C@H]2OC5)CCC(C4(C)C)=O)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Hebetaeltin C (CHEBI:203852) is a organic heterotricyclic compound (CHEBI:26979)
Hebetaeltin C (CHEBI:203852) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4R,12R,15S,20S)-15-hydroxy-12,16,16-trimethyl-8-[(1E,3E)-penta-1,3-dienyl]-3,9,11-trioxapentacyclo[10.7.1.01,15.04,20.05,10]icosa-5(10),7-diene-6,17-dione