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CHEBI:219353 - Erdacin

ChEBI IDCHEBI:219353
ChEBI NameErdacin
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FormulaC26H18O9
Net Charge0
Average Mass474.421
Monoisotopic Mass474.09508
SMILESCC(=O)C1=C2C(=C3C1=C(O)C(=O)c1c(O)cccc13)[C@H](C(C)=O)[C@](O)(C(=O)O)c1c(O)cccc12
InChIInChI=1S/C26H18O9/c1-9(27)15-18-12-6-4-8-14(30)22(12)26(35,25(33)34)21(10(2)28)19(18)17-11-5-3-7-13(29)16(11)23(31)24(32)20(15)17/h3-8,21,29-30,32,35H,1-2H3,(H,33,34)/t21-,26+/m0/s1
InChIKeyNNZDEXBUGGULIY-HFZDXXHNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Erdacin (CHEBI:219353) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
(20R,21S)-12,21-diacetyl-7,10,18,20-tetrahydroxy-9-oxopentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20-carboxylic acid
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