Guignardone J (CHEBI:199412)

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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	Guignardone J

ChEBI ID	CHEBI:199412

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

Submitter	MetaboLights

Supplier Information

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Formula

C17H24O5

Net Charge

Average Mass

308.374

Monoisotopic Mass

308.16237

InChI

InChI=1S/C17H24O5/c1-9(2)10-4-5-16(3)12(10)6-11-14(22-16)13(19)7-17(21,8-18)15(11)20/h10,12-13,18-19,21H,1,4-8H2,2-3H3/t10-,12-,13-,16+,17+/m0/s1

InChIKey

NDRMXJQIHGDADJ-AWKHGQQRSA-N

SMILES

O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@@H](O)C[C@@]1(O)CO

Metabolite of Species	Details
Phyllosticta capitalensis (NCBI:txid121624)	See: PubMed
Guignardiaspecies (NCBI:txid1715232)	See: PubMed
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Guignardone J (CHEBI:199412) is a cyclohexenones (CHEBI:48953)

IUPAC Names

(1R,3aR,5S,7R,9aS)-5,7-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,5,6,9,9a-hexahydro-1H-cyclopenta[b]chromen-8-one

(1R,3aR,5S,7S,9aS)-1-acetyl-5-hydroxy-7-methoxy-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one

(1R,4R,7R,8S,12S)-1-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one