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CHEBI:210559 - Lithocarol E

ChEBI IDCHEBI:210559
ChEBI NameLithocarol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O7
Net Charge0
Average Mass498.616
Monoisotopic Mass498.26175
SMILESCO[C@]1(c2cc(C)cc3c2O[C@H](C(C)(C)O)CO3)O[C@@H](OC(C)C)c2c(O)ccc(CC=C(C)C)c21
InChIInChI=1S/C29H38O7/c1-16(2)9-10-19-11-12-21(30)24-25(19)29(32-8,36-27(24)34-17(3)4)20-13-18(5)14-22-26(20)35-23(15-33-22)28(6,7)31/h9,11-14,17,23,27,30-31H,10,15H2,1-8H3/t23-,27+,29+/m0/s1
InChIKeyKZAXBQHOLOTAJP-TZIIFLTASA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (30954837)
ChEBI Ontology
Outgoing Relation(s)
Lithocarol E (CHEBI:210559) is a benzodioxine (CHEBI:64096)
IUPAC Name 
(1S,3R)-1-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methoxy-7-(3-methylbut-2-enyl)-3-propan-2-yloxy-3H-2-benzouran-4-ol
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78315821ChemSpider