(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE (CHEBI:49608)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49608 - (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:49608
ChEBI Name	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE
Stars
Downloads	Molfile

Formula	C19H22O7
Net Charge	0
Average Mass	362.378
Monoisotopic Mass	362.13655
SMILES	[H]Oc1c([H])c(OC([H])([H])[H])c([H])c2c1C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])/C([H])=C(\[H])C(=O)[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])/C([H])=C/2[H]
InChI	InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15+,18-/m1/s1
InChIKey	NEQZWEXWOFPKOT-RCPUWQGCSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE (CHEBI:49608) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(3R,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione	PDBeChem
(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE	PDBeChem

Manual Xrefs	Databases
FRR	PDBeChem