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CHEBI:207597 - Chrodrimanin J

ChEBI IDCHEBI:207597
ChEBI NameChrodrimanin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O5
Net Charge0
Average Mass410.510
Monoisotopic Mass410.20932
SMILESCC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@@H]21)C[C@@H](O)CC4=O
InChIInChI=1S/C25H30O5/c1-23(2)19-5-8-25(4)20(24(19,3)7-6-21(23)29)11-14-15-9-13(26)10-16(27)22(15)17(28)12-18(14)30-25/h6-7,12-13,19-20,26,28H,5,8-11H2,1-4H3/t13-,19+,20+,24+,25+/m1/s1
InChIKeyLLZGCNVJOFHLTD-TWJITQDPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26046820)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin J (CHEBI:207597) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3S,4S,9R,12S,20R)-16,20-dihydroxy-4,8,8,12-tetramethyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),5,15,17(22)-tetraene-7,18-dione
Manual XrefsDatabases
59006639ChemSpider