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CHEBI:210026 - Hawaiienol B

ChEBI IDCHEBI:210026
ChEBI NameHawaiienol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1ccc([C@]2(O)C(=O)[C@@]3(OC)O[C@@H]2[C@@H](O)[C@@]3(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22O8/c1-26-14-8-4-12(5-9-14)19(24)17-16(22)20(25,21(28-3,29-17)18(19)23)13-6-10-15(27-2)11-7-13/h4-11,16-17,22,24-25H,1-3H3/t16-,17-,19-,20+,21-/m1/s1
InChIKeyJXZNGXLFMMDPFT-YCXYWVQESA-N
Species of MetaboliteComponentSourceComments
Paracamarosporium hawaiiense (ncbitaxon:502129) - PubMed (30024750)
ChEBI Ontology
Outgoing Relation(s)
Hawaiienol B (CHEBI:210026) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1S,3R,4R,5R,6S)-3,5,6-trihydroxy-1-methoxy-3,6-bis(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-one
Manual XrefsDatabases
78439119ChemSpider