Terminology Service for NFDI4Health
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Muscapurpurin

Go to external page http://purl.obolibrary.org/obo/CHEBI_7033

Term info

Label

Muscapurpurin

Synonyms
  • Muscapurpurin
database cross reference
Subsets

2_STAR

charge

0

formula

C18H14N2O10

has obo namespace

chebi_ontology

id

CHEBI:7033

inchi

InChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1

inchikey

KAUZSNIDLZSFSR-QWRGUYRKSA-N

mass

418.312

monoisotopicmass

418.06484

smiles

OC(=O)[C@@H]1CC(=C\C=[N+]2/[C@@H](Cc3cc(oc(=O)c23)C(O)=O)C([O-])=O)/C=C(N1)C(O)=O