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CHEBI:227514 - Kadhenrischinin E

ChEBI IDCHEBI:227514
ChEBI NameKadhenrischinin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O7
Net Charge0
Average Mass540.697
Monoisotopic Mass540.30870
SMILESCC(=O)O[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@H](C2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)C1
InChIInChI=1S/C32H44O7/c1-18(33)38-32(6,28(36)37)21-16-22(26(34)17-21)25-12-14-30(4)24-9-8-23-19(7-10-27(35)39-29(23,2)3)15-20(24)11-13-31(25,30)5/h7,10,15,21-23,25-26,34H,8-9,11-14,16-17H2,1-6H3,(H,36,37)/t21-,22+,23-,25?,26-,30+,31-,32-/m1/s1
InChIKeyTYEKTESVEOSRDJ-YGNCLJORSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30476897)
ChEBI Ontology
Outgoing Relation(s)
Kadhenrischinin E (CHEBI:227514) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2R)-2-acetyloxy-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