CHEBI:219353 - Erdacin

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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 Erdacin
ChEBI ID CHEBI:219353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H18O9
Net Charge 0
Average Mass 474.421
Monoisotopic Mass 474.09508
InChI InChI=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
InChIKey NNZDEXBUGGULIY-HFZDXXHNSA-N
SMILES O=C1C2=C(O)C=CC=C2C3=C4[C@H](C(=O)C)[C@](O)(C(=O)O)C5=C(C4=C(C3=C1O)C(=O)C)C=CC=C5O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
28286629 ChemSpider
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