CHEBI:216036 - PS-990

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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 PS-990
ChEBI ID CHEBI:216036
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36O10
Net Charge 0
Average Mass 580.630
Monoisotopic Mass 580.23085
InChI InChI=1S/C32H36O10/c1-12-15(4)24(33)18(7)28(39-10)23(12)32(38)41-26-16(5)13(2)21(25(34)19(26)8)31(37)42-27-17(6)14(3)22(30(35)36)29(40-11)20(27)9/h33-34H,1-11H3,(H,35,36)
InChIKey UESGSZFVMHDIFM-UHFFFAOYSA-N
SMILES O=C(OC1=C(C(O)=C(C(=O)OC2=C(C(OC)=C(C(=O)O)C(=C2C)C)C)C(=C1C)C)C)C3=C(OC)C(=C(O)C(=C3C)C)C
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: PubMed
ChEBI Ontology
Outgoing PS-990 (CHEBI:216036) is a carbonyl compound (CHEBI:36586)
IUPAC Name
4-[2-hydroxy-4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
Manual Xref Database
138856 ChemSpider
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