(10S)-10-O-beta-D-4'-methylmannopyranosyldiaporthin (CHEBI:210887)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210887 - (10S)-10-O-beta-D-4'-methylmannopyranosyldiaporthin

Take structure to advanced search

ChEBI ID	CHEBI:210887
ChEBI Name	(10S)-10-O-beta-D-4'-methylmannopyranosyldiaporthin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H26O10
Net Charge	0
Average Mass	426.418
Monoisotopic Mass	426.15260
SMILES	COc1cc(O)c2c(=O)oc(C[C@H](C)O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@@H]3O)cc2c1
InChI	InChI=1S/C20H26O10/c1-9(28-20-17(24)16(23)18(27-3)14(8-21)30-20)4-12-6-10-5-11(26-2)7-13(22)15(10)19(25)29-12/h5-7,9,14,16-18,20-24H,4,8H2,1-3H3/t9-,14+,16+,17-,18+,20+/m0/s1
InChIKey	OABBXHPPUDNHRM-WGZDNDSFSA-N

Species of Metabolite	Component	Source	Comments
Phomopsis (ncbitaxon:34399)	-	DOI (10.1016/j.tet.2017.02.019)

ChEBI Ontology

Outgoing Relation(s)
	(10S)-10-O-beta-D-4'-methylmannopyranosyldiaporthin (CHEBI:210887) is a isocoumarins (CHEBI:38758)

IUPAC Name
3-[(2S)-2-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxypropyl]-8-hydroxy-6-methoxyisochromen-1-one

Manual Xrefs	Databases
78441711	ChemSpider