CHEBI:212388 - Arisugacin E

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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 E
ChEBI ID CHEBI:212388
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O6
Net Charge 0
Average Mass 454.563
Monoisotopic Mass 454.23554
InChI InChI=1S/C27H34O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21-22,28,30H,10-14H2,1-5H3/t21-,22-,25-,26-,27-/m1/s1
InChIKey GECAUTUYQKKNPV-XIVUVDIESA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@@]5([C@](O)(C([C@H](O)CC5)(C)C)CC[C@]4(O3)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Arisugacin E (CHEBI:212388) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin E (CHEBI:212388) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2R,5R,7S,10R)-5,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-16-one
Manual Xref Database
8822739 ChemSpider
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