Peniginsengin D (CHEBI:214346)

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CHEBI:214346 - Peniginsengin D

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ChEBI ID	CHEBI:214346
ChEBI Name	Peniginsengin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H28O5
Net Charge	0
Average Mass	336.428
Monoisotopic Mass	336.19367
SMILES	CC(=CC[C@@]12O[C@@H]1[C@H](O)C(C)=C[C@H]2O)CCC=C(C)CCC(=O)O
InChI	InChI=1S/C19H28O5/c1-12(7-8-16(21)22)5-4-6-13(2)9-10-19-15(20)11-14(3)17(23)18(19)24-19/h5,9,11,15,17-18,20,23H,4,6-8,10H2,1-3H3,(H,21,22)/t15-,17-,18-,19+/m1/s1
InChIKey	AKBCBBUTZKOPGV-OWYHZJEWSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (30275364)

ChEBI Ontology

Outgoing Relation(s)
	Peniginsengin D (CHEBI:214346) is a monoterpenoid (CHEBI:25409)

IUPAC Name
10-[(1S,2R,5R,6R)-2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid

Manual Xrefs	Databases
78439293	ChemSpider