CHEBI:223537 - Ganodermalactone K

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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 Ganodermalactone K
ChEBI ID CHEBI:223537
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H44O7
Net Charge 0
Average Mass 540.697
Monoisotopic Mass 540.30870
InChI InChI=1S/C32H44O7/c1-18-8-9-22(37-27(18)35)19(2)21-12-14-29(6)24-11-10-23-28(4,5)39-26(34)13-15-31(23,17-36-20(3)33)32(24)25(38-32)16-30(21,29)7/h8,11,19,21-23,25H,9-10,12-17H2,1-7H3/t19-,21+,22-,23-,25+,29-,30+,31+,32-/m0/s1
InChIKey FYIANMAHJHGDPG-XRUYFVBTSA-N
SMILES O=C1OC([C@@H]2CC=C3[C@]4([C@]2(CC1)COC(=O)C)O[C@@H]4C[C@]5([C@]3(CC[C@@H]5[C@@H]([C@H]6OC(=O)C(C)=CC6)C)C)C)(C)C
Metabolite of Species Details
Tomophagusspecies (NCBI:txid2782489) See: PubMed
ChEBI Ontology
Outgoing Ganodermalactone K (CHEBI:223537) is a triterpenoid (CHEBI:36615)
IUPAC Name
[(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.01,18.02,8.012,16]nonadec-10-en-2-yl]methyl acetate