CHEBI:204588 - Thielavin M

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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 Thielavin M
ChEBI ID CHEBI:204588
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/c1-11-9-18(30)10-19(31)20(11)28(35)39-25-15(5)13(3)22(26(37-8)17(25)7)29(36)38-24-14(4)12(2)21(27(33)34)23(32)16(24)6/h9-10,30-32H,1-8H3,(H,33,34)
InChIKey CAWJTNCJDAQEAS-UHFFFAOYSA-N
SMILES O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Thielavin M (CHEBI:204588) is a carbonyl compound (CHEBI:36586)
IUPAC Name
4-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
Manual Xref Database
9104812 ChemSpider
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