CHEBI:225124 - Arisugacin P

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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 P
ChEBI ID CHEBI:225124
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O5
Net Charge 0
Average Mass 434.532
Monoisotopic Mass 434.20932
InChI InChI=1S/C27H30O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,11-12,15,21-22H,10,13-14H2,1-5H3/t21-,22+,26-,27+/m0/s1
InChIKey BOMYZLARCFYSCM-HXABMTEBSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@]5(C=CC(=O)C([C@@H]5CC[C@]4(O3)C)(C)C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Arisugacin P (CHEBI:225124) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin P (CHEBI:225124) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2S,7R,10R)-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-3,12(17),13-triene-5,16-dione