Peniciginseng A (CHEBI:212197)

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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	Peniciginseng A

ChEBI ID	CHEBI:212197

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H32O4

Net Charge

Average Mass

312.450

Monoisotopic Mass

312.23006

InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)22-21/h6-7,11,14,17,19,21H,2-5,8-10,12-13,15-16H2,1H3/b7-6-,14-11-/t17-/m1/s1

InChIKey

TZTWGGYPSZSNBQ-VEPOBDBYSA-N

SMILES

O=C(OO)CCCCCC[C@H](O)/C=C\C/C=C\CCCCC

Metabolite of Species	Details
Penicilliumspecies YIM PH 30003 (NCBI:txid1564175)	See: DOI

ChEBI Ontology
Outgoing	Peniciginseng A (CHEBI:212197) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

(8S,9Z,12Z)-8-hydroxyoctadeca-9,12-dieneperoxoic acid