Phomentrioloxin B (CHEBI:200046)

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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	Phomentrioloxin B

ChEBI ID	CHEBI:200046

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O4

Net Charge

Average Mass

290.359

Monoisotopic Mass

290.15181

InChI

InChI=1S/C17H22O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14,16-18,20H,3,5,7H2,1-2,4H3/t14-,16-,17-/m1/s1

InChIKey

JKVHMQFXNMEOSL-DJIMGWMZSA-N

SMILES

O=C1C(C#CC(=C)CCC=C(C)C)=C[C@@H](O)[C@H]([C@@H]1O)OC

Metabolite of Species	Details
Diaporthe gulyae (NCBI:txid1116854)	See: PubMed

ChEBI Ontology
Outgoing	Phomentrioloxin B (CHEBI:200046) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4R,5R,6S)-4,6-dihydroxy-5-methoxy-2-(7-methyl-3-methylideneoct-6-en-1-ynyl)cyclohex-2-en-1-one