CHEBI:144178 - 9'-methylprotocetraric acid

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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 9'-methylprotocetraric acid
ChEBI ID CHEBI:144178
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C19H16O9
Net Charge 0
Average Mass 388.326
Monoisotopic Mass 388.079
InChI InChI=1S/C19H16O9/c1-7-4-11(21)9(5-20)16-12(7)19(25)28-17-10(6-26-3)14(22)13(18(23)24)8(2)15(17)27-16/h4-5,21-22H,6H2,1-3H3,(H,23,24)
InChIKey IJJZZLYYFYYEHT-UHFFFAOYSA-N
SMILES O=C1OC2=C(C(=C(C(=O)O)C(=C2COC)O)C)OC3=C1C(=CC(=C3C=O)O)C
ChEBI Ontology
Outgoing 9'-methylprotocetraric acid (CHEBI:144178) is a carbonyl compound (CHEBI:36586)