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CHEBI:202403 - Chrodrimanin I

ChEBI IDCHEBI:202403
ChEBI NameChrodrimanin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILESCC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@@H]21)C[C@@H](O)CC4=O
InChIInChI=1S/C25H32O5/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/h12-13,19-20,26,28H,5-11H2,1-4H3/t13-,19+,20+,24+,25+/m1/s1
InChIKeyPSTLLZRFPVSVAC-TWJITQDPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26046820)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin I (CHEBI:202403) 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),15,17(22)-triene-7,18-dione
Manual XrefsDatabases
58859126ChemSpider