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CHEBI:175844 - Cycloheterophyllin

ChEBI IDCHEBI:175844
ChEBI NameCycloheterophyllin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O7
Net Charge0
Average Mass502.563
Monoisotopic Mass502.19915
SMILESCC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1cc(O)c(O)cc1OC4C=C(C)C)C=CC(C)(C)O2
InChIInChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
InChIKeyZZPIXEJZTXAVCX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cycloheterophyllin (CHEBI:175844) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,15,17,21-octaen-13-one
Manual XrefsDatabases
HMDB0030685HMDB
LMPK12110921LIPID MAPS
4475345ChemSpider
Registry NumbersSources
CAS:36545-53-6ChemIDplus