Javanicol A (CHEBI:215043)

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CHEBI:215043 - Javanicol A

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ChEBI ID	CHEBI:215043
ChEBI Name	Javanicol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H22O4
Net Charge	0
Average Mass	278.348
Monoisotopic Mass	278.15181
SMILES	C/C=C/C1=CC2(O[C@H]3CC(/C=C/C)C[C@H]3O2)[C@@H](O)[C@H]1O
InChI	InChI=1S/C16H22O4/c1-3-5-10-7-12-13(8-10)20-16(19-12)9-11(6-4-2)14(17)15(16)18/h3-6,9-10,12-15,17-18H,7-8H2,1-2H3/b5-3+,6-4+/t10?,12-,13+,14-,15-,16?/m0/s1
InChIKey	RBXYYWQRRZMHHX-XLFZWLKSSA-N

Species of Metabolite	Component	Source	Comments
Penicillium javanicum (ncbitaxon:28578)	-	PubMed (31731236)

ChEBI Ontology

Outgoing Relation(s)
	Javanicol A (CHEBI:215043) is a ketal (CHEBI:59777)

IUPAC Name
(1'S,2'S,3aR,6aS)-3',5-bis[(E)-prop-1-enyl]spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,5'-cyclopent-3-ene]-1',2'-diol