CHEBI:225134 - Arisugacin L

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 L
ChEBI ID CHEBI:225134
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O8
Net Charge 0
Average Mass 486.561
Monoisotopic Mass 486.22537
InChI InChI=1S/C27H34O8/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/h6-9,12,20-21,28-29,31-32H,10-11,13-14H2,1-5H3/t20-,21-,24-,25+,26-,27-/m1/s1
InChIKey GBADVZQQQTVIQG-GPWDMKRESA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@H](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 L (CHEBI:225134) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin L (CHEBI:225134) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,3R,5R,7R,10R)-1,3,5,7-tetrahydroxy-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
128440278 ChemSpider
View more database links