CHEBI:227503 - Kadhenrischinin C

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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 Kadhenrischinin C
ChEBI ID CHEBI:227503
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O6
Net Charge 0
Average Mass 496.644
Monoisotopic Mass 496.28249
InChI InChI=1S/C30H40O6/c1-27(2)20-7-8-21-17(12-16(20)6-9-24(32)36-27)10-11-28(3)25(22(31)15-29(21,28)4)19-13-18-14-23(19)35-26(33)30(18,5)34/h6,9,12,18-20,22-23,25,31,34H,7-8,10-11,13-15H2,1-5H3/t18-,19-,20-,22-,23-,25?,28-,29+,30-/m1/s1
InChIKey PLVSKJDNJZGZKR-SKIQFCRBSA-N
SMILES O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@H](C5)C6)(O)C)[C@@H](C4)O)(C)CCC3C=C2C=C1)C)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Kadhenrischinin C (CHEBI:227503) is a lactone (CHEBI:25000)
IUPAC Name
(9R,13R,15R,17R)-15-hydroxy-16-[(1R,4R,5R,7S)-4-hydroxy-4-methyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one