CHEBI:207446 - 5',6'-dihydroxyacetosellin

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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 5',6'-dihydroxyacetosellin
ChEBI ID CHEBI:207446
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C23H24O8
Net Charge 0
Average Mass 428.437
Monoisotopic Mass 428.14712
InChI InChI=1S/C23H24O8/c1-11(25)16(26)6-4-3-5-12-7-17(27)19-20-18(12)14-8-13(9-24)30-10-15(14)21(28)23(20,2)31-22(19)29/h3-7,11,13,16,24-27H,8-10H2,1-2H3/b5-3+,6-4+/t11?,13-,16?,23-/m0/s1
InChIKey XEMGWGTWWWNVQF-QKFNBBCUSA-N
SMILES O=C1C2=C(C=3C(=CC(=C4C3[C@@]1(OC4=O)C)O)/C=C/C=C/C(O)C(O)C)C[C@@H](CO)OC2
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing 5',6'-dihydroxyacetosellin (CHEBI:207446) is a organic heterotricyclic compound (CHEBI:26979)
5',6'-dihydroxyacetosellin (CHEBI:207446) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4S,9S)-15-[(1E,3E)-5,6-dihydroxyhepta-1,3-dienyl]-13-hydroxy-4-(hydroxymethyl)-9-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12,14-tetraene-8,11-dione
Manual Xref Database
63002555 ChemSpider
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