(8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one (CHEBI:91565)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91565 - (8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one

Take structure to advanced search

ChEBI ID	CHEBI:91565
ChEBI Name	(8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one
Stars
Downloads	Molfile

Formula	C29H32O13
Net Charge	0
Average Mass	588.562
Monoisotopic Mass	588.18429
SMILES	COc1cc([C@@H]2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3OCC(=O)[C@@H]32)OCO4)cc(OC)c1O
InChI	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(32)25(33)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(30)8-37-28(22)26)12-4-18(34-2)23(31)19(5-12)35-3/h4-7,11,20-22,24-29,31-33H,8-10H2,1-3H3/t11?,20?,21-,22-,24?,25?,26?,27?,28?,29?/m1/s1
InChIKey	SYKHAYBRYKMZLP-LTGYLHEKSA-N

ChEBI Ontology

Outgoing Relation(s)
	(8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one (CHEBI:91565) is a furonaphthodioxole (CHEBI:50307)

Manual Xrefs	Databases
LSM-1363	LINCS