CHEBI:212063 - Thielavin A

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 Thielavin A
ChEBI ID CHEBI:212063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H30O10
Net Charge 0
Average Mass 538.549
Monoisotopic Mass 538.18390
InChI InChI=1S/C29H30O10/c1-10-9-18(30)15(6)22(31)19(10)28(36)38-26-14(5)12(3)21(24(33)17(26)8)29(37)39-25-13(4)11(2)20(27(34)35)23(32)16(25)7/h9,30-33H,1-8H3,(H,34,35)
InChIKey MGGMNKJGDSNTKZ-UHFFFAOYSA-N
SMILES O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Metabolite of Species Details
Thielavia (NCBI:txid35719) See: PubMed
ChEBI Ontology
Outgoing Thielavin A (CHEBI:212063) is a carbonyl compound (CHEBI:36586)
IUPAC Name
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
Manual Xref Database
168701 ChemSpider
View more database links