CHEBI:204508 - Yanuthone 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 Yanuthone B
ChEBI ID CHEBI:204508
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O5
Net Charge 0
Average Mass 400.515
Monoisotopic Mass 400.22497
InChI InChI=1S/C24H32O5/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-24-21(26)14-20(15-28-19(5)25)22(27)23(24)29-24/h8,10,12,14,23H,6-7,9,11,13,15H2,1-5H3/b17-10+,18-12+/t23-,24?/m1/s1
InChIKey ZNJXRPDYPGYTCI-YFQICCSESA-N
SMILES O=C1C=C(C(=O)[C@@H]2C1(O2)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)COC(=O)C
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) See: PubMed
ChEBI Ontology
Outgoing Yanuthone B (CHEBI:204508) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S)-2,5-dioxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Manual Xref Database
78440189 ChemSpider
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