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CHEBI:198584 - Shikometabolin D

ChEBI IDCHEBI:198584
ChEBI NameShikometabolin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O8
Net Charge0
Average Mass538.552
Monoisotopic Mass538.16277
SMILESCC(C)=C[C@H]1[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)C2=C2[C@@H](C=C(C)C)c3c(O)c4c(c(O)c3[C@H]21)C(=O)C=CC4=O
InChIInChI=1S/C32H26O8/c1-11(2)9-13-19-20(28-21(13)29(37)23-15(33)5-7-17(35)25(23)32(28)40)14(10-12(3)4)22-27(19)31(39)26-18(36)8-6-16(34)24(26)30(22)38/h5-10,13-14,19,21,33,35,38-39H,1-4H3/t13-,14-,19+,21-/m1/s1
InChIKeyQOXNFNWMCYLIIX-WVXNDRGBSA-N
Species of MetaboliteComponentSourceComments
Bacteroides (ncbitaxon:816) - DOI (10.1016/s0040-4039(00)75844-8)
ChEBI Ontology
Outgoing Relation(s)
Shikometabolin D (CHEBI:198584) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(11R,12R,13S,24R)-5,8,15,22-tetrahydroxy-12,24-bis(2-methylprop-1-enyl)hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1,4,6,8,14(23),15,18,21-octaene-3,10,17,20-tetrone
Manual XrefsDatabases
78436378ChemSpider