Bicycloalternarene D (CHEBI:214228)

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CHEBI:214228 - Bicycloalternarene D

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ChEBI ID	CHEBI:214228
ChEBI Name	Bicycloalternarene D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H30O6
Net Charge	0
Average Mass	378.465
Monoisotopic Mass	378.20424
SMILES	C/C(=C\CCC(C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1)CC/C=C(\C)C(=O)O
InChI	InChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(24)25)7-5-11-21(3,26)18-12-15-17(27-18)10-9-16(22)19(15)23/h7-8,16,18,22,26H,4-6,9-12H2,1-3H3,(H,24,25)/b13-7+,14-8+/t16-,18+,21?/m1/s1
InChIKey	JWYZXXJKVUAVGS-SPSXDHFQSA-N

Species of Metabolite	Component	Source	Comments
Alternariaspecies JJY-32 (ncbitaxon:911659)	-	PubMed (24128115)

ChEBI Ontology

Outgoing Relation(s)
	Bicycloalternarene D (CHEBI:214228) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2E,6E)-10-hydroxy-10-[(2S,5R)-5-hydroxy-4-oxo-3,5,6,7-tetrahydro-2H-1-benzouran-2-yl]-2,6-dimethylundeca-2,6-dienoic acid

Manual Xrefs	Databases
78438061	ChemSpider