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CHEBI:224038 - Paranolin

ChEBI IDCHEBI:224038
ChEBI NameParanolin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCOc1c(C)cc2c(c1CO)C=C1C(=O)C=C[C@]3(O)C[C@H](C(C)(C)O)O[C@]13O2
InChIInChI=1S/C21H24O7/c1-11-7-16-12(13(10-22)18(11)26-4)8-14-15(23)5-6-20(25)9-17(19(2,3)24)28-21(14,20)27-16/h5-8,17,22,24-25H,9-10H2,1-4H3/t17-,20+,21-/m1/s1
InChIKeySFLKIASEWCOYOG-JRGCBEDISA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriopsis nolinae (ncbitaxon:125374) - DOI (10.1002/hlca.200690051)
ChEBI Ontology
Outgoing Relation(s)
Paranolin (CHEBI:224038) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1S,14R,16R)-14-hydroxy-7-(hydroxymethyl)-16-(2-hydroxypropan-2-yl)-6-methoxy-5-methyl-2,17-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3(8),4,6,9,12-pentaen-11-one
Manual XrefsDatabases
78442735ChemSpider