CHEBI:203571 - Pinazaphilone B

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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 Pinazaphilone B
ChEBI ID CHEBI:203571
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O9
Net Charge 0
Average Mass 416.382
Monoisotopic Mass 416.11073
InChI InChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-19-14-9-29-13(3-4-17(25)26)6-11(14)7-16(24)21(19,2)28/h3-8,14,19,22-23,28H,9H2,1-2H3,(H,25,26)/t14-,19+,21+/m1/s1
InChIKey ZDFHVFVPRFCIRZ-RFVSGWPVSA-N
SMILES O=C1C=C2C=C(OC[C@H]2[C@@H]([C@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C)C=CC(=O)O
Metabolite of Species Details
Penicilliumspecies HN29-3B1 (NCBI:txid1426912) See: PubMed
ChEBI Ontology
Outgoing Pinazaphilone B (CHEBI:203571) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
3-[(7R,8S,8aS)-8-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
Manual Xref Database
78437030 ChemSpider
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