CHEBI:225149 - Arisugacin O

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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 Arisugacin O
ChEBI ID CHEBI:225149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O8
Net Charge 0
Average Mass 484.545
Monoisotopic Mass 484.20972
InChI InChI=1S/C27H32O8/c1-23(2)20(28)13-21(29)25(4)26(23,31)11-10-24(3)27(25,32)14-17-19(35-24)12-18(34-22(17)30)15-6-8-16(33-5)9-7-15/h6-9,12,20,28,31-32H,10-11,13-14H2,1-5H3/t20-,24-,25+,26-,27-/m1/s1
InChIKey OQZMMSBLGYHONG-ZJQFWPFFSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@]5(C(=O)C[C@@H](O)C([C@]5(O)CC[C@]4(O3)C)(C)C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Arisugacin O (CHEBI:225149) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin O (CHEBI:225149) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5R,7R,10R)-1,5,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-3,16-dione
Manual Xref Database
128435440 ChemSpider
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