CHEBI:197639 - Arisugacin F

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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 F
ChEBI ID CHEBI:197639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C27H34O5
Net Charge 0
Average Mass 438.564
Monoisotopic Mass 438.24062
InChI InChI=1S/C27H34O5/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/h6-9,15,21-23,28H,10-14H2,1-5H3/t21-,22+,23-,26-,27+/m0/s1
InChIKey ZAYVSCMOIFKFEU-KCXTWHPGSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@@]5([C@H](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 F (CHEBI:197639) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin F (CHEBI:197639) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2S,5S,7R,10R)-5-hydroxy-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
9012062 ChemSpider
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