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CHEBI:226680 - 16-Hydroxyalbatrellin

ChEBI IDCHEBI:226680
ChEBI Name16-Hydroxyalbatrellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H56O7
Net Charge0
Average Mass696.925
Monoisotopic Mass696.40260
SMILESCC(C)=Cc1cc(CCC/C(C)=C/Cc2c(O)cc(C)cc2O)c(C2=C(C)C(=O)C(=O)C(C/C=C(\C)CC/C=C(\C)C[C@H](O)C=C(C)C)=C2O)o1
InChIInChI=1S/C44H56O7/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/h14,16-17,20-21,23-25,34,45-47,49H,10-13,15,18-19,22H2,1-9H3/b28-17+,29-16+,30-14+/t34-/m1/s1
InChIKeyWJXXFYHKRMCCHR-LYCKVNJHSA-N
Species of MetaboliteComponentSourceComments
Albatrellopsis flettii (ncbitaxon:2821077) - DOI (10.1002/ejoc.200601022)
ChEBI Ontology
Outgoing Relation(s)
16-Hydroxyalbatrellin (CHEBI:226680) is a diterpenoid (CHEBI:23849)
IUPAC Name 
5-[3-[(E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-enyl]-5-(2-methylprop-1-enyl)uran-2-yl]-4-hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohexa-3,5-diene-1,2-dione
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17277534ChemSpider