EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230609 - mastigophorene a

Default Structure
ChEBI IDCHEBI:230609
ChEBI Namemastigophorene a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O4
Net Charge0
Average Mass466.662
Monoisotopic Mass466.30831
SMILESCc1cc([C@@]2(C)CCCC2(C)C)c(O)c(O)c1-c1c(C)cc([C@@]2(C)CCCC2(C)C)c(O)c1O
InChIInChI=1S/C30H42O4/c1-17-15-19(29(7)13-9-11-27(29,3)4)23(31)25(33)21(17)22-18(2)16-20(24(32)26(22)34)30(8)14-10-12-28(30,5)6/h15-16,31-34H,9-14H2,1-8H3/t29-,30-/m1/s1
InChIKeyTZWQPPFRZCEUCT-LOYHVIPDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
mastigophorene a (CHEBI:230609) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-[2,3-dihydroxy-6-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]-4-methyl-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
Manual XrefsDatabases
8610138ChemSpider