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CHEBI:219803 - Ophiocerol

ChEBI IDCHEBI:219803
ChEBI NameOphiocerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESC[C@@H]1Oc2cccc(O)c2[C@H](O)[C@@H](C)Oc2cccc(O)c2[C@@H]1O
InChIInChI=1S/C18H20O6/c1-9-17(21)15-11(19)5-4-8-14(15)24-10(2)18(22)16-12(20)6-3-7-13(16)23-9/h3-10,17-22H,1-2H3/t9-,10+,17-,18-/m1/s1
InChIKeyHTVPTLVEDCCJOB-AYBUMKCRSA-N
Species of MetaboliteComponentSourceComments
Ophioceras dolichostomum (ncbitaxon:367097) - PubMed (20552522)
ChEBI Ontology
Outgoing Relation(s)
Ophiocerol (CHEBI:219803) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3R,4S,12S,13S)-3,12-dimethyl-2,11-dioxatricyclo[12.4.0.05,10]octadeca-1(18),5,7,9,14,16-hexaene-4,6,13,15-tetrol
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