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CHEBI:202951 - Grifolinone B

ChEBI IDCHEBI:202951
ChEBI NameGrifolinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H54O7
Net Charge0
Average Mass694.909
Monoisotopic Mass694.38695
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC1=C(O)C(c2oc(C=C(C)C)cc2CCC/C(C)=C/Cc2c(O)cc(C)cc2O)=C(C)C(=O)C1=O
InChIInChI=1S/C44H54O7/c1-26(2)20-34(45)22-30(7)14-10-12-28(5)17-19-37-42(49)40(32(9)41(48)43(37)50)44-33(25-35(51-44)21-27(3)4)15-11-13-29(6)16-18-36-38(46)23-31(8)24-39(36)47/h14,16-17,20-21,23-25,46-47,49H,10-13,15,18-19,22H2,1-9H3/b28-17+,29-16+,30-14+
InChIKeyQRAUMDFIEAUWJF-ZSCFOPHXSA-N
Species of MetaboliteComponentSourceComments
Neoalbatrellus caeruleoporus (ncbitaxon:2530190) - PubMed (16169234)
ChEBI Ontology
Outgoing Relation(s)
Grifolinone B (CHEBI:202951) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-[3-[(E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-enyl]-5-(2-methylprop-1-enyl)uran-2-yl]-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-9-oxododeca-2,6,10-trienyl]cyclohexa-3,5-diene-1,2-dione
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78434743ChemSpider