CHEBI:225139 - Arisugacin M

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 M
ChEBI ID CHEBI:225139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O7
Net Charge 0
Average Mass 470.562
Monoisotopic Mass 470.23045
InChI InChI=1S/C27H34O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,21,28,30-31H,10-13,15H2,1-5H3/t21-,24-,25+,26+,27-/m0/s1
InChIKey UAHDIKFHLMWTTE-ZYMCBDGHSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@@H](O)CC5)(C)C)CC[C@]4(O3)C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Arisugacin M (CHEBI:225139) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin M (CHEBI:225139) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5S,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-dien-16-one
Manual Xref Database
128440266 ChemSpider
View more database links