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CHEBI:227448 - Albatrellin

ChEBI IDCHEBI:227448
ChEBI NameAlbatrellin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H56O6
Net Charge0
Average Mass680.926
Monoisotopic Mass680.40769
SMILESCC(C)=CCC/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/C44H56O6/c1-27(2)13-10-14-29(5)15-11-16-30(6)20-22-37-42(48)40(33(9)41(47)43(37)49)44-34(26-35(50-44)23-28(3)4)18-12-17-31(7)19-21-36-38(45)24-32(8)25-39(36)46/h13,15,19-20,23-26,45-46,48H,10-12,14,16-18,21-22H2,1-9H3/b29-15+,30-20+,31-19+
InChIKeyLCOOCCCTANLRMU-FGESODLRSA-N
Species of MetaboliteComponentSourceComments
Albatrellopsis confluens (ncbitaxon:2925186) - DOI (10.1002/ejoc.200601022)
ChEBI Ontology
Outgoing Relation(s)
Albatrellin (CHEBI:227448) 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-trimethyldodeca-2,6,10-trienyl]cyclohexa-3,5-diene-1,2-dione
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17276929ChemSpider