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CHEBI:226752 - Conoideochromane C

ChEBI IDCHEBI:226752
ChEBI NameConoideochromane C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC=C(O[C@H]1Cc2cc(CO)cc(O)c2OC1(C)C)C(=O)OC
InChIInChI=1S/C16H20O6/c1-9(15(19)20-4)21-13-7-11-5-10(8-17)6-12(18)14(11)22-16(13,2)3/h5-6,13,17-18H,1,7-8H2,2-4H3/t13-/m0/s1
InChIKeyJUSISMPVITXJKO-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2019.05.007)
ChEBI Ontology
Outgoing Relation(s)
Conoideochromane C (CHEBI:226752) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl 2-[[8-hydroxy-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydrochromen-3-yl]oxy]prop-2-enoate