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CHEBI:213138 - Carbocyclinone-534

ChEBI IDCHEBI:213138
ChEBI NameCarbocyclinone-534
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H32O5
Net Charge0
Average Mass532.636
Monoisotopic Mass532.22497
SMILESCC1=C(C(C)C)C(=O)C2=C(C1=O)C1[C@H](c3ccccc3)C3C24C(=O)C(C(C)C)=C(O)C(=O)C34[C@@H]1c1ccccc1
InChIInChI=1S/C35H32O5/c1-16(2)21-18(5)28(36)25-24-23(19-12-8-6-9-13-19)31-34(26(24)20-14-10-7-11-15-20)33(40)30(38)22(17(3)4)32(39)35(31,34)27(25)29(21)37/h6-17,23-24,26,31,38H,1-5H3/t23-,24?,26+,31?,34?,35?/m0/s1
InChIKeyOKCZLCUAUIMCLH-HUPHOTODSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus luminescens (ncbitaxon:29488) - PubMed (32097515)
ChEBI Ontology
Outgoing Relation(s)
Carbocyclinone-534 (CHEBI:213138) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(14S,16S)-3-hydroxy-10-methyl-14,16-diphenyl-4,9-di(propan-2-yl)pentacyclo[11.2.1.01,6.06,15.07,12]hexadeca-3,7(12),9-triene-2,5,8,11-tetrone