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CHEBI:202882 - NBRI17671

ChEBI IDCHEBI:202882
ChEBI NameNBRI17671
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O6
Net Charge0
Average Mass452.632
Monoisotopic Mass452.31379
SMILESCCCCCCCCC[C@@H](C)C1=C(O)C(=O)[C@@H]2[C@H](O)[C@H](C)C[C@H](O)[C@H]2[C@]1(C)C(=O)CCO
InChIInChI=1S/C26H44O6/c1-5-6-7-8-9-10-11-12-16(2)21-25(32)24(31)20-22(18(28)15-17(3)23(20)30)26(21,4)19(29)13-14-27/h16-18,20,22-23,27-28,30,32H,5-15H2,1-4H3/t16-,17-,18+,20+,22-,23-,26-/m1/s1
InChIKeyIWEABBUPFKGXLA-ZGDKZWFPSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (20379217)
ChEBI Ontology
Outgoing Relation(s)
NBRI17671 (CHEBI:202882) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-[(2R)-undecan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Manual XrefsDatabases
78436926ChemSpider