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CHEBI:189340 - 3-hydroxyisorenieratene

ChEBI IDCHEBI:189340
ChEBI Name3-hydroxyisorenieratene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H48O
Net Charge0
Average Mass544.823
Monoisotopic Mass544.37052
SMILESCC(/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(O)c(C)c1C
InChIInChI=1S/C40H48O/c1-28(17-13-19-30(3)21-25-38-33(6)24-23-32(5)35(38)8)15-11-12-16-29(2)18-14-20-31(4)22-26-39-34(7)27-40(41)37(10)36(39)9/h11-27,41H,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,28-15+,29-16+,30-19+,31-20+
InChIKeyAATNFCIRDPNDRP-YRKVFUNNSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyisorenieratene (CHEBI:189340) is a diterpenoid (CHEBI:23849)
IUPAC Name 
2,3,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
Manual XrefsDatabases
8522837ChemSpider