Vasinfectin B (CHEBI:198204)

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CHEBI:198204 - Vasinfectin B

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ChEBI ID	CHEBI:198204
ChEBI Name	Vasinfectin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O4
Net Charge	0
Average Mass	344.451
Monoisotopic Mass	344.19876
SMILES	CCC(=O)c1cc(C)c2c(c1)C(=O)C(C)(/C=C(\C)[C@@H](O)[C@@H](C)CC)O2
InChI	InChI=1S/C21H28O4/c1-7-12(3)18(23)14(5)11-21(6)20(24)16-10-15(17(22)8-2)9-13(4)19(16)25-21/h9-12,18,23H,7-8H2,1-6H3/b14-11+/t12-,18-,21?/m0/s1
InChIKey	RTTRWDZCXCRSLT-HBEMAXPGSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	DOI (10.1016/s0040-4039(97)01191-x)

ChEBI Ontology

Outgoing Relation(s)
	Vasinfectin B (CHEBI:198204) is a benzofurans (CHEBI:35259)

IUPAC Name
2-[(E,3S,4S)-3-hydroxy-2,4-dimethylhex-1-enyl]-2,7-dimethyl-5-propanoyl-1-benzouran-3-one

Manual Xrefs	Databases
8864171	ChemSpider