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CHEBI:209912 - 8'-hydroxyascochlorin

ChEBI IDCHEBI:209912
ChEBI Name8'-hydroxyascochlorin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO5
Net Charge0
Average Mass420.933
Monoisotopic Mass420.17035
SMILESCC(/C=C/[C@@]1(C)[C@H](C)[C@@H](O)CC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O
InChIInChI=1S/C23H29ClO5/c1-12(8-9-23(5)14(3)18(26)10-19(27)15(23)4)6-7-16-21(28)17(11-25)13(2)20(24)22(16)29/h6,8-9,11,14-15,18,26,28-29H,7,10H2,1-5H3/b9-8+,12-6+/t14-,15+,18+,23+/m1/s1
InChIKeyBNHRMTPTNRGWNC-PTNHCWJWSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (15032480)
ChEBI Ontology
Outgoing Relation(s)
8'-hydroxyascochlorin (CHEBI:209912) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
5-chloro-2,4-dihydroxy-3-[(2E,4E)-5-[(1S,2S,3S,6R)-3-hydroxy-1,2,6-trimethyl-5-oxocyclohexyl]-3-methylpenta-2,4-dienyl]-6-methylbenzaldehyde
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9949176ChemSpider