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CHEBI:227519 - Kadhenrischinin F

ChEBI IDCHEBI:227519
ChEBI NameKadhenrischinin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O6
Net Charge0
Average Mass498.660
Monoisotopic Mass498.29814
SMILESCC1(C)OC(=O)C=CC2=CC3=C(CC[C@H]21)[C@]1(C)CCC([C@@H]2C[C@@H]([C@@](C)(O)C(=O)O)C[C@H]2O)[C@@]1(C)CC3
InChIInChI=1S/C30H42O6/c1-27(2)21-7-8-22-18(14-17(21)6-9-25(32)36-27)10-12-29(4)23(11-13-28(22,29)3)20-15-19(16-24(20)31)30(5,35)26(33)34/h6,9,14,19-21,23-24,31,35H,7-8,10-13,15-16H2,1-5H3,(H,33,34)/t19-,20+,21-,23?,24-,28+,29-,30-/m1/s1
InChIKeyGPDRWIIRUVVXDR-BUJDICIBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30476897)
ChEBI Ontology
Outgoing Relation(s)
Kadhenrischinin F (CHEBI:227519) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2R)-2-hydroxy-2-[(1R,3R,4S)-3-hydroxy-4-[(9R,13R,17R)-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl]cyclopentyl]propanoic acid