CHEBI:225144 - Arisugacin N

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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 N
ChEBI ID CHEBI:225144
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
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/h6-9,12,21,29,31-32H,10-11,13-14H2,1-5H3/t21-,24-,25+,26-,27-/m1/s1
InChIKey LKHIHSHYTDXNHA-BYBMWWPSSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C(C(=O)C[C@H]5O)(C)C)CC[C@]4(O3)C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Arisugacin N (CHEBI:225144) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin N (CHEBI:225144) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,3R,7S,10R)-1,3,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione