3,5-dimethoxydihydrofusarubin B (CHEBI:222498)

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CHEBI:222498 - 3,5-dimethoxydihydrofusarubin B

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ChEBI ID	CHEBI:222498
ChEBI Name	3,5-dimethoxydihydrofusarubin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H22O7
Net Charge	0
Average Mass	338.356
Monoisotopic Mass	338.13655
SMILES	COc1cc(O)c2c(c1O)[C@H](OC)[C@H]1C[C@](C)(OC)OC[C@H]1C2=O
InChI	InChI=1S/C17H22O7/c1-17(23-4)6-8-9(7-24-17)14(19)12-10(18)5-11(21-2)15(20)13(12)16(8)22-3/h5,8-9,16,18,20H,6-7H2,1-4H3/t8-,9+,16+,17+/m0/s1
InChIKey	WIJFPHJXBDLXRE-RFMXWLSYSA-N

Species of Metabolite	Component	Source	Comments
Fusariumspecies BCC14842 (ncbitaxon:914077)	-	DOI (10.1016/j.tet.2011.07.078)

ChEBI Ontology

Outgoing Relation(s)
	3,5-dimethoxydihydrofusarubin B (CHEBI:222498) is a organic heterotricyclic compound (CHEBI:26979)
	3,5-dimethoxydihydrofusarubin B (CHEBI:222498) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(3R,4aS,5R,10aS)-6,9-dihydroxy-3,5,7-trimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one

Manual Xrefs	Databases
78438242	ChemSpider