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CHEBI:224620 - Bipolahydroquinone B

ChEBI IDCHEBI:224620
ChEBI NameBipolahydroquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILESCCC(C)C(=O)c1coc2c3c(c(O)cc12)[C@@H](O)[C@@H]1[C@@]2(C)CC[C@H](C(C)(C)O)O[C@@H]2CC[C@@]1(C)O3
InChIInChI=1S/C28H38O7/c1-7-14(2)21(30)16-13-33-23-15(16)12-17(29)20-22(31)25-27(5)10-8-18(26(3,4)32)34-19(27)9-11-28(25,6)35-24(20)23/h12-14,18-19,22,25,29,31-32H,7-11H2,1-6H3/t14?,18-,19-,22-,25-,27+,28-/m1/s1
InChIKeyXXFWORVXCSJJAD-DYPPFNBKSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies L1-2 (ncbitaxon:2970998) - PubMed (31397570)
ChEBI Ontology
Outgoing Relation(s)
Bipolahydroquinone B (CHEBI:224620) is a xanthenes (CHEBI:38835)
IUPAC Name 
1-[(1R,12S,13S,14R,17R,19R)-10,12-dihydroxy-17-(2-hydroxypropan-2-yl)-1,14-dimethyl-2,5,18-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,6,8,10-tetraen-7-yl]-2-methylbutan-1-one