Colletomellein B (CHEBI:210373)

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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	Colletomellein B

ChEBI ID	CHEBI:210373

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O5

Net Charge

Average Mass

294.347

Monoisotopic Mass

294.14672

InChI

InChI=1S/C16H22O5/c1-8(17)5-4-6-11-7-12-9(2)14(18)10(3)15(19)13(12)16(20)21-11/h8,11,17-19H,4-7H2,1-3H3/t8?,11-/m0/s1

InChIKey

OHHXALPTLPRFKQ-LYNSQETBSA-N

SMILES

O=C1O[C@H](CC=2C1=C(O)C(=C(O)C2C)C)CCCC(O)C

Metabolite of Species	Details
Colletotrichum (NCBI:txid5455)	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	Colletomellein B (CHEBI:210373) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3S)-6,8-dihydroxy-3-(4-hydroxypentyl)-5,7-dimethyl-3,4-dihydroisochromen-1-one