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CHEBI:175953 - ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside

Default Structure
ChEBI IDCHEBI:175953
ChEBI Nameent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O11
Net Charge0
Average Mass528.595
Monoisotopic Mass528.25706
SMILESCC12CCCC(C)(C3CCC4CC3(C=O)CC4(O)CO)C1C(OC1OC(CO)C(O)C(O)C1O)OC2=O
InChIInChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3
InChIKeyRNCYPVVUMUQCQI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside (CHEBI:175953) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[4,7a-dimethyl-1-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,5,6,7-tetrahydro-3H-2-benzouran-4-yl]-6-hydroxy-6-(hydroxymethyl)bicyclo[3.2.1]octane-1-carbaldehyde
Manual XrefsDatabases
74886472ChemSpider
HMDB0038546HMDB