CHEBI:209912 - 8'-hydroxyascochlorin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8'-hydroxyascochlorin
ChEBI ID CHEBI:209912
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29ClO5
Net Charge 0
Average Mass 420.930
Monoisotopic Mass 420.17035
InChI InChI=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
InChIKey BNHRMTPTNRGWNC-PTNHCWJWSA-N
SMILES ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/C=C/[C@@]2([C@H](C(=O)C[C@@H]([C@H]2C)O)C)C)\C
Metabolite of Species Details
Verticillium (NCBI:txid1036719) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
9949176 ChemSpider
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