Daldinan B (CHEBI:209441)

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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	Daldinan B

ChEBI ID	CHEBI:209441

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H19NO7

Net Charge

Average Mass

373.361

Monoisotopic Mass

373.11615

InChI

InChI=1S/C19H19NO7/c1-9-4-12(18(24)14(5-9)27-3)17-11-6-10(21)7-13(26-2)16(11)19(25)20(17)8-15(22)23/h4-7,17,21,24H,8H2,1-3H3,(H,22,23)/t17-/m0/s1

InChIKey

MBLXGHZGBFIPBW-KRWDZBQOSA-N

SMILES

O=C1N([C@H](C2=C(O)C(OC)=CC(=C2)C)C=3C1=C(OC)C=C(O)C3)CC(=O)O

Metabolite of Species	Details
Daldinia concentrica (NCBI:txid42361)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Daldinan B (CHEBI:209441) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

2-[6-hydroxy-1-(2-hydroxy-3-methoxy-5-methylphenyl)-4-methoxy-3-oxo-1H-isoindol-2-yl]acetic acid