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CHEBI:213504 - (-)-cochlearol B

ChEBI IDCHEBI:213504
ChEBI Name(-)-cochlearol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O3
Net Charge0
Average Mass324.420
Monoisotopic Mass324.17254
SMILESCC1(C)[C@H]2CC[C@@]3(C)Oc4ccc(O)cc4[C@@]14C=C(C=O)CC[C@]234
InChIInChI=1S/C21H24O3/c1-18(2)17-7-8-19(3)20(17)9-6-13(12-22)11-21(18,20)15-10-14(23)4-5-16(15)24-19/h4-5,10-12,17,23H,6-9H2,1-3H3/t17-,19-,20+,21+/m1/s1
InChIKeyTXSOHFJAYYPXHN-PBASOCQRSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25402560)
ChEBI Ontology
Outgoing Relation(s)
(-)-cochlearol B (CHEBI:213504) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1R,9R,12R,13R)-4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.01,13.02,7.09,13]octadeca-2(7),3,5,16-tetraene-16-carbaldehyde
Manual XrefsDatabases
78441324ChemSpider