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CHEBI:210021 - Hawaiienol A

ChEBI IDCHEBI:210021
ChEBI NameHawaiienol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCOc1ccc([C@]23O[C@@H]4[C@H]2O[C@](OC)([C@H]3O)[C@]4(O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H20O7/c1-24-14-9-5-11(6-10-14)18-15-16(26-18)19(23,12-3-7-13(21)8-4-12)20(25-2,27-15)17(18)22/h3-10,15-17,21-23H,1-2H3/t15-,16-,17+,18+,19+,20-/m1/s1
InChIKeyKLNCHNDOLGSXFV-XVMXLUHGSA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (30024750)
ChEBI Ontology
Outgoing Relation(s)
Hawaiienol A (CHEBI:210021) is a alkylbenzene (CHEBI:38976)
Hawaiienol A (CHEBI:210021) is a ring assembly (CHEBI:36820)
IUPAC Name 
(1R,2S,3R,5R,6R,8S)-2-(4-hydroxyphenyl)-1-methoxy-5-(4-methoxyphenyl)-4,7-dioxatricyclo[3.2.1.03,6]octane-2,8-diol
Manual XrefsDatabases
78439118ChemSpider