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CHEBI:215652 - Ganocin A

ChEBI IDCHEBI:215652
ChEBI NameGanocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O4
Net Charge0
Average Mass340.419
Monoisotopic Mass340.16746
SMILESCC1(C)O[C@@]23C=C(C=O)CC[C@@]24[C@@H]1CC[C@@]4(C)Oc1ccc(O)cc13
InChIInChI=1S/C21H24O4/c1-18(2)17-7-8-19(3)20(17)9-6-13(12-22)11-21(20,25-18)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
InChIKeyPXYOBXAVEVGYNT-AYWYSENESA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25192355)
ChEBI Ontology
Outgoing Relation(s)
Ganocin A (CHEBI:215652) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1R,9R,12S,13S)-4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.01,13.02,7.09,13]nonadeca-2(7),3,5,16-tetraene-16-carbaldehyde
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34452014ChemSpider