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CHEBI:192001 - (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin

ChEBI IDCHEBI:192001
ChEBI Name(R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O8
Net Charge0
Average Mass630.778
Monoisotopic Mass630.31927
SMILESCC(C)=CCC/C(C)=C/COc1ccc(/C=C/C(=O)OC(CC/C(C)=C/COc2ccc3ccc(=O)oc3c2)C(C)(C)O)c(O)c1
InChIInChI=1S/C38H46O8/c1-26(2)8-7-9-27(3)20-22-43-31-15-11-29(33(39)24-31)13-18-37(41)46-35(38(5,6)42)17-10-28(4)21-23-44-32-16-12-30-14-19-36(40)45-34(30)25-32/h8,11-16,18-21,24-25,35,39,42H,7,9-10,17,22-23H2,1-6H3/b18-13+,27-20+,28-21+
InChIKeyGHUBHRMKAZWBIH-IPXVTYHMSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin (CHEBI:192001) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(E)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]prop-2-enoate
Manual XrefsDatabases
35014732ChemSpider
HMDB0039061HMDB